305724 <common-name>4-[(e)-(2-bromophenyl)methylideneamino]-3-(3-ethoxyphenyl)-1h-1,2,4-triazole-5-thione</common-name> <description>4-[(e)-(2-bromophenyl)methylideneamino]-3-(3-ethoxyphenyl)-1h-1,2,4-triazole-5-thione belongs to the triazoles, a subclass of azoles within the organic compounds. It is classified as an organoheterocyclic compound with the formula C17H15BrN4OS. The compound has an average molecular weight of 403.30 g/mol.</description> <cas>497921-75-2</cas> <pubchem-id>9609735</pubchem-id> <chemical-formula>C17H15BrN4OS</chemical-formula> <weight>403.3</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">2026-08-28T23:20:28Z</created-at> <updated-at type="dateTime">2026-08-28T23:20:28Z</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=CC(=C1)C2=NNC(=S)N2N=CC3=CC=CC=C3Br</moldb-smiles> <moldb-formula>C17H15BrN4OS</moldb-formula> <moldb-inchi>InChI=1S/C17H15BrN4OS/c1-2-23-14-8-5-7-12(10-14)16-20-21-17(24)22(16)19-11-13-6-3-4-9-15(13)18/h3-11H,2H2,1H3,(H,21,24)/b19-11+</moldb-inchi> <moldb-inchikey>LEMAZMLIWWERPU-YBFXNURJSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">402.01499</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.3</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>CHEM301617</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>4-[(e)-(2-bromophenyl)methylideneamino]-3-(3-ethoxyphenyl)-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>CED0256808</sync-id> <structure-inchikey>LEMAZMLIWWERPU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400420800040000000000000000000000000000200000400000000000002000000208000200000002000000000000000400000000000000000000001008000200000000000000000000000000000000300000004808000000000000000100000014000000080100000000000000100000040000000000000000001000140000000800000200000000000800000000100000000020000000000000000000000000000400000080000000000000000080000000000040000000000000000000000000000000100000000000000000000042020000200000040800060000000000000000040000000000000000000000000000000080000000000</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��� ��(��� ��h���h���h���h���h������h�� h���h�B������������ ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:14:27Z</structure-indexed-at> </compound>