305884 <common-name>3-(2-chlorophenyl)-4-[(e)-(4-ethoxyphenyl)methylideneamino]-1h-1,2,4-triazole-5-thione</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>6861315</pubchem-id> <chemical-formula>C17H15ClN4OS</chemical-formula> <weight>358.8</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">2026-08-28T23:34:14Z</created-at> <updated-at type="dateTime">2026-08-28T23:34:14Z</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>CCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3Cl</moldb-smiles> <moldb-formula>C17H15ClN4OS</moldb-formula> <moldb-inchi>InChI=1S/C17H15ClN4OS/c1-2-23-13-9-7-12(8-10-13)11-19-22-16(20-21-17(22)24)14-5-3-4-6-15(14)18/h3-11H,2H2,1H3,(H,21,24)/b19-11+</moldb-inchi> <moldb-inchikey>DXEVMFQTSJLAGK-YBFXNURJSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">358.06551</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</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>CHEM301777</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-chlorophenyl)-4-[(e)-(4-ethoxyphenyl)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>CED0256961</sync-id> <structure-inchikey>DXEVMFQTSJLAGK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000420800042000000000000000000000000080200000400000002000002000000208000208002002000000000000000000000000000000000000000008000400000000000000000100000000000000300000204000000000000000000100000010000000080000000000000000100000000020080000000000000000040000000800000200000000000000000000100000000020000000000000000000000000000480000080000000000000000080000000000000000000000000000000000000000000000000000000010000000042000000200000000000042000000000000000040000000000000000000000000000000080000004000</structure-fingerprint> <structure-pattern-fingerprint>501100100932834081000940012830400000140001052200003520418200080c44020814108000000004410800800000042000a4408c32010020643000a04000c6110c00129006102990100000620280900405805321133240000422000141000c2005270048820020040400c5340201200088710901e09c1928082002510002104001084ef08208080602400aac0008191c0812440014820000080000410086c04310009010c00000000864017c27100ac00000894108401800421008c0023000400284040010320180000014051280000800004200d0200d12020c080003401010401008810004000200135212208000100030a042000e0000100051101000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(������@(������@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�B������������ ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T03:37:05Z</structure-indexed-at> </compound>