<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">338835</id>
  <title nil="true"/>
  <common-name>(5z)-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one</common-name>
  <description>(5z)-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one is a chemical compound with the formula C24H22N4O4S2. It has an average molecular weight of 494.60 g/mol.</description>
  <cas>623935-94-4</cas>
  <pubchem-id>5901047</pubchem-id>
  <chemical-formula>C24H22N4O4S2</chemical-formula>
  <weight>494.6</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-30T21:59:40Z</created-at>
  <updated-at type="dateTime">2026-08-30T21:59:40Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C(C)C)C4=CC=CC=C4)[N+](=O)[O-]</moldb-smiles>
  <moldb-formula>C24H22N4O4S2</moldb-formula>
  <moldb-inchi>InChI=1S/C24H22N4O4S2/c1-4-32-20-11-10-16(12-19(20)28(30)31)22-17(14-26(25-22)18-8-6-5-7-9-18)13-21-23(29)27(15(2)3)24(33)34-21/h5-15H,4H2,1-3H3/b21-13-</moldb-inchi>
  <moldb-inchikey>YUAOCVYBKLNCJU-BKUYFWCQSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">494.1082475</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.6</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM334728</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>(5z)-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Azoles</klass>
  <subklass>Pyrazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0289261</sync-id>
  <structure-inchikey>YUAOCVYBKLNCJU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000002000000000080024000000000000004000000000000010000040000000040500200002010000000300000200400000000400000000080000000000000000000000000000000000000000000002020001000030000180000000040000000000000000000020000010011800080000800410000804000000000000000000000c1c0000000800000000000000000800000001100000000020000000400000000000000000000000000080000000000000000090000020200040000000000000000000000000000000000000000000000000000040000000200000020000000000040000000000040000000800000000000081020000000000200000008</structure-fingerprint>
  <structure-pattern-fingerprint>7036c200cd32864081805b608138a3001900140081052010803da070822048cc74023050139200000180410810c00000046102b5c28c3269002ce57988a04008c7510c901290164000905040137212010c56a59053a11f3340040c62402249440c7805af0048822d68088484ddb40247b0868070011be14477180c60025100021ac040184ef082080c068258483c0008393c881244421e8a500088206040429650d3301190b0c2200a043961257c35104ac100028943084018844e104cc00212a070c8a6a4d82e3311c10685545303900c010111035850200d7282042801230090704d100889016411000403511220820050043080c2042e1108108052000446</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAiAAAAJQAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:39:29Z</structure-indexed-at>
</compound>
