<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">311143</id>
  <title nil="true"/>
  <common-name>6-[2-[(3,4-dimethoxyphenyl)methylideneamino]phenyl]-3-sulfanylidene-2h-1,2,4-triazin-5-one</common-name>
  <description>6-[2-[(3,4-dimethoxyphenyl)methylideneamino]phenyl]-3-sulfanylidene-2h-1,2,4-triazin-5-one is a chemical compound with the formula C18H16N4O3S. It has an average molecular weight of 368.40 g/mol.</description>
  <cas>303095-20-7</cas>
  <pubchem-id>2320080</pubchem-id>
  <chemical-formula>C18H16N4O3S</chemical-formula>
  <weight>368.4</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">2026-08-29T07:05:12Z</created-at>
  <updated-at type="dateTime">2026-08-29T07:05:12Z</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>COC1=C(C=C(C=C1)C=NC2=CC=CC=C2C3=NNC(=S)NC3=O)OC</moldb-smiles>
  <moldb-formula>C18H16N4O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C18H16N4O3S/c1-24-14-8-7-11(9-15(14)25-2)10-19-13-6-4-3-5-12(13)16-17(23)20-18(26)22-21-16/h3-10H,1-2H3,(H2,20,22,23,26)</moldb-inchi>
  <moldb-inchikey>YKLNXOOVLLGTTO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">368.0943116</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.6</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>CHEM307036</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>6-[2-[(3,4-dimethoxyphenyl)methylideneamino]phenyl]-3-sulfanylidene-2h-1,2,4-triazin-5-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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Methoxybenzenes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0262105</sync-id>
  <structure-inchikey>YKLNXOOVLLGTTO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2040000280000020008240000004000800000000000000000000000000400000000000800020100000008000002000000000000000000000000000000000000000000000000000000000000000000020000000000300000004000002000000000000000000000040000080100000000000000000000800000080000000000000000040000000800000200000000010000000000100000000000400000000000020000000000100000000280000000000000000000000000000000000000080000000000000000000000000000000200000000000040000004200000000004000000008000000000040000100000000000000000020000000080000004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@(������@h�������@(������@h�������@h��������h��������(������@(������@h�������@h�������@h�������@h�������@(������@(������@(������@8�������@(�������(������@8�������@(�������(�������(�������`����������� ��h���h���h���h���h��� �	(�	
 
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h���h�B����������������
�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:18:22Z</structure-indexed-at>
</compound>
