300392 <common-name>3-(2-methoxyphenyl)-4-[(e)-(2-nitrophenyl)methylideneamino]-1h-1,2,4-triazole-5-thione</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>6878830</pubchem-id> <chemical-formula>C16H13N5O3S</chemical-formula> <weight>355.4</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">2026-08-28T17:16:12Z</created-at> <updated-at type="dateTime">2026-08-28T17:16:12Z</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=CC=CC=C1C2=NNC(=S)N2N=CC3=CC=CC=C3[N+](=O)[O-]</moldb-smiles> <moldb-formula>C16H13N5O3S</moldb-formula> <moldb-inchi>InChI=1S/C16H13N5O3S/c1-24-14-9-5-3-7-12(14)15-18-19-16(25)20(15)17-10-11-6-2-4-8-13(11)21(22)23/h2-10H,1H3,(H,19,25)/b17-10+</moldb-inchi> <moldb-inchikey>ODFHWLRSQUHCHV-LICLKQGHSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">355.0739105</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.1</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>CHEM296285</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-methoxyphenyl)-4-[(e)-(2-nitrophenyl)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>CED0251668</sync-id> <structure-inchikey>ODFHWLRSQUHCHV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000004000000000000000080000000000020000000040000000000000000000800020a000002000800000000000400000000000000000008000008000000000000000000000100020000000000300021804000000400000000000100000010240000080000000000000000100000040000080000000000000000040000000800000200000000000000000001100000000000000000000000000000000000000400000080000002000000000000000000000000000000080000000000000000000000000000000000000000000042020000200000000000040000000000000000040000000000000000000001020000000080000000000</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�������@(������ *��������(������ *���ÿ�������� ��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">2026-09-19T05:10:28Z</structure-indexed-at> </compound>