<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">339773</id>
  <title nil="true"/>
  <common-name>N-cyclohexyl-2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide</common-name>
  <description>N-cyclohexyl-2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is a chemical compound with the formula C24H28N4OS. It has an average molecular weight of 420.60 g/mol.</description>
  <cas>538336-49-1</cas>
  <pubchem-id>3836184</pubchem-id>
  <chemical-formula>C24H28N4OS</chemical-formula>
  <weight>420.6</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">2026-08-30T23:09:34Z</created-at>
  <updated-at type="dateTime">2026-08-30T23:09:34Z</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>CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3CCCCC3)C4=CC=CC=C4</moldb-smiles>
  <moldb-formula>C24H28N4OS</moldb-formula>
  <moldb-inchi>InChI=1S/C24H28N4OS/c1-17-13-14-18(2)21(15-17)28-23(19-9-5-3-6-10-19)26-27-24(28)30-16-22(29)25-20-11-7-4-8-12-20/h3,5-6,9-10,13-15,20H,4,7-8,11-12,16H2,1-2H3,(H,25,29)</moldb-inchi>
  <moldb-inchikey>MZVUGGPGKZEWJI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">420.1983827</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.5</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>CHEM335666</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>N-cyclohexyl-2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide</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>Triazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0290191</sync-id>
  <structure-inchikey>MZVUGGPGKZEWJI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000004000000000800000000800000000000000000000040000001000000000000000000000000004000000002094000000000800000000000000200000000000000000000000000100000000000020000000000000000000008010000000000000010000000000000000100020000000020100000000000000000004100800000040000000800002000000000080880000010100000000000000000000008100000004000000000000080100400000000000400000000000002c00000000000000000000000000000020000100000000100000002000000200000000000000000100000000000040000000000400000000010000000040000020000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAeAAAAIQAAAIABBgBgAAAAAQMGQCgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:40:12Z</structure-indexed-at>
</compound>
