<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">338748</id>
  <title nil="true"/>
  <common-name>(5z)-3-butyl-5-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one</common-name>
  <description>(5z)-3-butyl-5-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a chemical compound with the formula C24H22FN3OS2. It has an average molecular weight of 451.60 g/mol.</description>
  <cas>623936-12-9</cas>
  <pubchem-id>16429046</pubchem-id>
  <chemical-formula>C24H22FN3OS2</chemical-formula>
  <weight>451.6</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">2026-08-30T21:53:48Z</created-at>
  <updated-at type="dateTime">2026-08-30T21:53:48Z</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>CCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)C)F)C4=CC=CC=C4)SC1=S</moldb-smiles>
  <moldb-formula>C24H22FN3OS2</moldb-formula>
  <moldb-inchi>InChI=1S/C24H22FN3OS2/c1-3-4-12-27-23(29)21(31-24(27)30)14-18-15-28(19-8-6-5-7-9-19)26-22(18)17-11-10-16(2)20(25)13-17/h5-11,13-15H,3-4,12H2,1-2H3/b21-14-</moldb-inchi>
  <moldb-inchikey>XQQXBROYFHXQRT-STZFKDTASA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">451.1188328</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.3</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>CHEM334641</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)-3-butyl-5-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-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>CED0289174</sync-id>
  <structure-inchikey>XQQXBROYFHXQRT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8008000400000000000000000000000000001000000000000004040020000201000000000000020040000000000000000008000000000000000000000000000000900000000000000200000100002100000000000000000000000200000000000000001001100008000080001001080400000000000000000200041c0000000800000000000004000800000000100000000000000000000000000000000000000000000080100000000000020010002020200040000000000000000000000000000000000004000000000100000042000000200000000000000000040008000000040200000810000800000080010000000000200000008</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ��������������������"���€���`�������`�������`�������`�������(�������(�������(�������(�������h�������@(������@h�������@(������@(������@(������@(������@h�������@(������@(������@h�������@h��������`�����	� �����@(������@h�������@h�������@h�������@h�������@h�������� ������(�������(�������������������� ��(��� ��(��	 	
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	��������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:39:25Z</structure-indexed-at>
</compound>
