310004 <common-name>(5e)-2-(4-bromophenyl)-5-[(2-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one</common-name> <description>(5e)-2-(4-bromophenyl)-5-[(2-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a chemical compound with the formula C17H9BrN4O3S. It has an average molecular weight of 429.20 g/mol.</description> <cas nil="true"/> <pubchem-id>1305735</pubchem-id> <chemical-formula>C17H9BrN4O3S</chemical-formula> <weight>429.2</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">2026-08-29T04:47:31Z</created-at> <updated-at type="dateTime">2026-08-29T04:47:31Z</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>C1=CC=C(C(=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C17H9BrN4O3S</moldb-formula> <moldb-inchi>InChI=1S/C17H9BrN4O3S/c18-12-7-5-10(6-8-12)15-19-17-21(20-15)16(23)14(26-17)9-11-3-1-2-4-13(11)22(24)25/h1-9H/b14-9+</moldb-inchi> <moldb-inchikey>VTXHWSDATZPUJZ-NTEUORMPSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">427.95787</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>CHEM305897</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>(5e)-2-(4-bromophenyl)-5-[(2-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one</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>CED0260988</sync-id> <structure-inchikey>VTXHWSDATZPUJZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000000000000002880000000080000000000000000004000410020000000002000002000000008000000400000000000000080000000000000000000000000000000000020000010000200001800800000400000000000000000000208000000000000800400000100000040000000000000000000000000000000800000000000000004800000001110000000000000000000000200000020000000400000084000000000000400000000000000000000010000000000000000000000000100004000000000000000000000000200000000000000000000000001000040000000000400000000081000000000000002000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@h�������@(������@(������@h��������h�������@(������@(�������(������@(������@(������@(������@(������@(������@(������@h�������@h�������@(������@h�������@h������#� �����@(������ *��������(������ *���ÿ�����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">2026-09-19T05:17:31Z</structure-indexed-at> </compound>