<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">320677</id>
  <title nil="true"/>
  <common-name>3-(2-fluorophenyl)-4-[(e)-(2-methoxynaphthalen-1-yl)methylideneamino]-1h-1,2,4-triazole-5-thione</common-name>
  <description>3-(2-fluorophenyl)-4-[(e)-(2-methoxynaphthalen-1-yl)methylideneamino]-1h-1,2,4-triazole-5-thione is a chemical compound with the formula C20H15FN4OS. It has an average molecular weight of 378.40 g/mol.</description>
  <cas>677304-15-3</cas>
  <pubchem-id>9560678</pubchem-id>
  <chemical-formula>C20H15FN4OS</chemical-formula>
  <weight>378.4</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">2026-08-29T19:43:44Z</created-at>
  <updated-at type="dateTime">2026-08-29T19:43:44Z</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(C2=CC=CC=C2C=C1)C=NN3C(=NNC3=S)C4=CC=CC=C4F</moldb-smiles>
  <moldb-formula>C20H15FN4OS</moldb-formula>
  <moldb-inchi>InChI=1S/C20H15FN4OS/c1-26-18-11-10-13-6-2-3-7-14(13)16(18)12-22-25-19(23-24-20(25)27)15-8-4-5-9-17(15)21/h2-12H,1H3,(H,24,27)/b22-12+</moldb-inchi>
  <moldb-inchikey>IEXOWAUEILJTKD-WSDLNYQXSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">378.0950605</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.6</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>CHEM316570</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-fluorophenyl)-4-[(e)-(2-methoxynaphthalen-1-yl)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>CED0271410</sync-id>
  <structure-inchikey>IEXOWAUEILJTKD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000240000000000000000000000000100200000000400000000000000000008000228000002000000000000000001000000000000000000000008000000000000000000000100002000000000310800004000000000000000000100000010040000080000000000000000900000000000080000000000080000040000001800080200000000000000000000100000000000000000000000000000200000000440000080000000000000000000000000000008000000080000000040000000000000000000000000000000000042000000200000000000040000000008001000040000000000000800000000020000000080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@(������@(������@h�������@h�������@h�������@h�������@(������@h�������@h��������h��������(������@(������@(������@(������@8�������@(�������(������@(������@h�������@h�������@h�������@h�������@(�����	� ���������� ��h���h���h���h���h���h��	h�	
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	�������	������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:25:45Z</structure-indexed-at>
</compound>
