<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">300244</id>
  <title nil="true"/>
  <common-name>3-(2-chlorophenyl)-4-[(e)-(3-methylphenyl)methylideneamino]-1h-1,2,4-triazole-5-thione</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>6859369</pubchem-id>
  <chemical-formula>C16H13ClN4S</chemical-formula>
  <weight>328.8</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">2026-08-28T17:04:49Z</created-at>
  <updated-at type="dateTime">2026-08-28T17:04:49Z</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(=CC=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3Cl</moldb-smiles>
  <moldb-formula>C16H13ClN4S</moldb-formula>
  <moldb-inchi>InChI=1S/C16H13ClN4S/c1-11-5-4-6-12(9-11)10-18-21-15(19-20-16(21)22)13-7-2-3-8-14(13)17/h2-10H,1H3,(H,20,22)/b18-10+</moldb-inchi>
  <moldb-inchikey>VKPUVQAPIRVONN-VCHYOVAHSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">328.0549453</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.3</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>CHEM296137</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>3-(2-chlorophenyl)-4-[(e)-(3-methylphenyl)methylideneamino]-1h-1,2,4-triazole-5-thione</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>CED0251523</sync-id>
  <structure-inchikey>VKPUVQAPIRVONN-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000040000000000000000000000000080200000000000000000000000000008000208002002000000000000000000000000000000000000000008000400000000000000000100000000000000200000004000000000000000000100000010000000080100000000000000100000100020080000004000001000140000000800000200000000010000000000100000000000000000000000000000000000000480000080000000000000000000000000000000000000000000000000000000000000000000000000010000000042000000200000000000042000100000000000040000000000000000000000000000000080000004000</structure-fingerprint>
  <structure-pattern-fingerprint>501100100912834080000940010830400000140001052200003520418200080c4402081410800000000441080080000004200024408c32010020643000a04000c6110c00029004102990100010620280900405805321133240000422000140000c2004270048020020040400c5140200200288710901c09c1928082002510002004001084ef08208080602400aac0008191c0812440014820000080000410086c00310008010c00000000844017c27100ac00000894108401800421008c0023000400284040010120180000014051280040800004200d0200d12020c080003401010401000010004000200115212208000100030a042000e0000000051101000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@(������@h�������@h�������@h��������h��������(������@(������@(������@(������@8�������@(�������(������@(������@h�������@h�������@h�������@h�������@(������� ����������h���h���h���h���h��� ��(��	 	
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	������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:10:22Z</structure-indexed-at>
</compound>
