<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">311914</id>
  <title nil="true"/>
  <common-name>4-[(e)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)-1h-1,2,4-triazole-5-thione</common-name>
  <description>4-[(e)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)-1h-1,2,4-triazole-5-thione is a chemical compound with the formula C18H18N4O3S. It has an average molecular weight of 370.40 g/mol.</description>
  <cas>478257-62-4</cas>
  <pubchem-id>135630416</pubchem-id>
  <chemical-formula>C18H18N4O3S</chemical-formula>
  <weight>370.4</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">2026-08-29T08:13:41Z</created-at>
  <updated-at type="dateTime">2026-08-29T08:13:41Z</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=CC=CC(=C1O)C=NN2C(=NNC2=S)C3=CC(=CC=C3)OC</moldb-smiles>
  <moldb-formula>C18H18N4O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C18H18N4O3S/c1-3-25-15-9-5-7-13(16(15)23)11-19-22-17(20-21-18(22)26)12-6-4-8-14(10-12)24-2/h4-11,23H,3H2,1-2H3,(H,21,26)/b19-11+</moldb-inchi>
  <moldb-inchikey>OTADBLUDTDSKSD-YBFXNURJSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">370.1099616</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.2</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>CHEM307807</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>4-[(e)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)-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>CED0262858</sync-id>
  <structure-inchikey>OTADBLUDTDSKSD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40020800040000000000000000000000000200200000400000000000002000000208000200000002000000000004000400000000000000000000000008000200000000000000000000000000000000300000004008000100000040000110000010040000080100000002000000100000040000000000000000001000140000000800000200000000000800000000000000000020000000000000000000000000000400000080000002000000000080000000000000000000080000000000000002000000000000000000000000000042020000200000040000060000000000000000040000000000000000000000028000000080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</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-indexed-at type="dateTime">2026-09-19T05:18:58Z</structure-indexed-at>
</compound>
