<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">310537</id>
  <title nil="true"/>
  <common-name>3-(furan-2-yl)-4-[(e)-(2-methoxynaphthalen-1-yl)methylideneamino]-1h-1,2,4-triazole-5-thione</common-name>
  <description>3-(furan-2-yl)-4-[(e)-(2-methoxynaphthalen-1-yl)methylideneamino]-1h-1,2,4-triazole-5-thione is a chemical compound with the formula C18H14N4O2S. It has an average molecular weight of 350.40 g/mol.</description>
  <cas>478253-76-8</cas>
  <pubchem-id>6861280</pubchem-id>
  <chemical-formula>C18H14N4O2S</chemical-formula>
  <weight>350.4</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">2026-08-29T05:55:00Z</created-at>
  <updated-at type="dateTime">2026-08-29T05:55:00Z</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=CO4</moldb-smiles>
  <moldb-formula>C18H14N4O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C18H14N4O2S/c1-23-15-9-8-12-5-2-3-6-13(12)14(15)11-19-22-17(20-21-18(22)25)16-7-4-10-24-16/h2-11H,1H3,(H,21,25)/b19-11+</moldb-inchi>
  <moldb-inchikey>FSOWESJRUMDVEP-YBFXNURJSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">350.0837469</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</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>CHEM306430</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-(furan-2-yl)-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>Benzenoids</superklass>
  <klass>Naphthalenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0261511</sync-id>
  <structure-inchikey>FSOWESJRUMDVEP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000240000040000000000000000000100200000000400000000000001000008000220000002000000000000000000000002000000000000000008000000000000000000000000000800000000300800004000000000000001000100000010040000080000000000000000900000000000000000000000000000040000001800080200000000000000000000100000000400000000000000000000200000000440000080000400000000000000000000000008000000080000000040000000000000000000000000000000000042000000200000040000044000000000001000040000000000002000000000020000000080000000000</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�
�h��� �(�� ��h���h���h���h���(��� ��h���h���h���h���h�	�h���h���h�B�������
	�������	�����������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:17:56Z</structure-indexed-at>
</compound>
