<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">312682</id>
  <title nil="true"/>
  <common-name>3-(furan-2-yl)-4-[(e)-(4-pentoxyphenyl)methylideneamino]-1h-1,2,4-triazole-5-thione</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>6879906</pubchem-id>
  <chemical-formula>C18H20N4O2S</chemical-formula>
  <weight>356.4</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">2026-08-29T09:19:07Z</created-at>
  <updated-at type="dateTime">2026-08-29T09:19:07Z</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>CCCCCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CO3</moldb-smiles>
  <moldb-formula>C18H20N4O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C18H20N4O2S/c1-2-3-4-11-23-15-9-7-14(8-10-15)13-19-22-17(20-21-18(22)25)16-6-5-12-24-16/h5-10,12-13H,2-4,11H2,1H3,(H,21,25)/b19-13+</moldb-inchi>
  <moldb-inchikey>UGVKLIWWPNMURO-CPNJWEJPSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">356.1306971</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.4</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>CHEM308575</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)-(4-pentoxyphenyl)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>Phenol ethers</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0263610</sync-id>
  <structure-inchikey>UGVKLIWWPNMURO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40040000000000020800042000040000000000000000000000200000000000002000002001000208000200000002000000000000000000000002000000000000000008000000000010000000000000000800000000300000204000000000000001020100000010000000080000000000000000100000000000000000000000020000040000000800000200000000000000000000000000000400040000000000000000000000000400000080000400000000008080000000000000000000000000000000000000000000000000000000000000000042000000200000040000046000000000000000040000000010002000000000000000000080000004000</structure-fingerprint>
  <structure-pattern-fingerprint>500300100932030081000140012830400100140001052200003420410a00080c40020012108000001004410800800000046000a4008c32010900647000a14000c6110400029006002190100001720280104405805321313240000c22002101000c2025270040820020040000c5340201200088718911e09c1928082002110002104001080ef08208080202400aac0008111c0812441014820000080000410087504310001010c00000000864017c25100ac0000089410840180002000848023000400084840111320180000004011a80010000000200d0200d12020c080003401010481008810004000200120212208000100070a042000e0000000050101040</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������(������@(������@h�������@h�������@(������@h�������@h��������h��������(������@(������@(������@(������@8�������@(�������(������@(������@h�������@h�������@h�������@(����������������������� ��h���h��	h�	
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	������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:19:36Z</structure-indexed-at>
</compound>
