<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">334941</id>
  <title nil="true"/>
  <common-name>3-(3-methylphenyl)-4-[(e)-(4-phenylmethoxyphenyl)methylideneamino]-1h-1,2,4-triazole-5-thione</common-name>
  <description>3-(3-methylphenyl)-4-[(e)-(4-phenylmethoxyphenyl)methylideneamino]-1h-1,2,4-triazole-5-thione is a chemical compound with the formula C23H20N4OS. It has an average molecular weight of 400.50 g/mol.</description>
  <cas>478255-49-1</cas>
  <pubchem-id>6880107</pubchem-id>
  <chemical-formula>C23H20N4OS</chemical-formula>
  <weight>400.5</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">2026-08-30T16:52:04Z</created-at>
  <updated-at type="dateTime">2026-08-30T16:52:04Z</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)C2=NNC(=S)N2N=CC3=CC=C(C=C3)OCC4=CC=CC=C4</moldb-smiles>
  <moldb-formula>C23H20N4OS</moldb-formula>
  <moldb-inchi>InChI=1S/C23H20N4OS/c1-17-6-5-9-20(14-17)22-25-26-23(29)27(22)24-15-18-10-12-21(13-11-18)28-16-19-7-3-2-4-8-19/h2-15H,16H2,1H3,(H,26,29)/b24-15+</moldb-inchi>
  <moldb-inchikey>OUZDRYWAANYJJK-BUVRLJJBSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">400.1357825</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.1</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>CHEM330834</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-(3-methylphenyl)-4-[(e)-(4-phenylmethoxyphenyl)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>CED0285417</sync-id>
  <structure-inchikey>OUZDRYWAANYJJK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000020800042100000000000000000000000000200000800000002000000000000208000200000002004000000000000000000000000000000000000008000000000000000000000000002000000000300000204008040000000000000100000010000000080100000000000000100000000000000000004000001000140200000800000200000000000800000000100000000000000000000000000000000000000400000080000000000000000080000000000000000000000000000000000000000000000000000000000000000042000000220000000000062000100000000000040000000000000000000000000000000080000004020</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�������������������� ���€���`������@(������@h�������@(������@h�������@h�������@h�������@(������@(������@8�������@(�������(������@(�������(�������h�������@(������@h�������@h�������@(������@h�������@h��������(�������`������@(������@h�������@h�������@h�������@h�������@h������������h���h���h���h���h��� ��h��	h�	
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	������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:36:43Z</structure-indexed-at>
</compound>
