<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">334670</id>
  <title nil="true"/>
  <common-name>3-(2-fluorophenyl)-4-[(e)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1h-1,2,4-triazole-5-thione</common-name>
  <description>3-(2-fluorophenyl)-4-[(e)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1h-1,2,4-triazole-5-thione is a chemical compound with the formula C23H19FN4O2S. It has an average molecular weight of 434.50 g/mol.</description>
  <cas>677754-65-3</cas>
  <pubchem-id>9660649</pubchem-id>
  <chemical-formula>C23H19FN4O2S</chemical-formula>
  <weight>434.5</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">2026-08-30T16:27:31Z</created-at>
  <updated-at type="dateTime">2026-08-30T16:27:31Z</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=CC(=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3F)OCC4=CC=CC=C4</moldb-smiles>
  <moldb-formula>C23H19FN4O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C23H19FN4O2S/c1-29-21-13-17(11-12-20(21)30-15-16-7-3-2-4-8-16)14-25-28-22(26-27-23(28)31)18-9-5-6-10-19(18)24/h2-14H,15H2,1H3,(H,27,31)/b25-14+</moldb-inchi>
  <moldb-inchikey>HWABTFZEKLXVQE-AFUMVMLFSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">434.1212752</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.8</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>CHEM330563</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)-(3-methoxy-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>CED0285147</sync-id>
  <structure-inchikey>HWABTFZEKLXVQE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000020800240100000000000000000000000000200000000400000000000000000008000208000002004000010000000001000000000000000000000008000000000000000000000100002000000000310000004000040000000000000100000010040000080100000000000000100000000000080000000000080000040200000800000200000000010000000000100000020000400000000000000000000000000400000080000000000000000080000000000000000000080000000000000000000000000000000000000000000042000000220000000000042000008008000000040000000000000800000000020000000080000004020</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��� �	(�	
 
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�������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:36:29Z</structure-indexed-at>
</compound>
