334531 <common-name>2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone</common-name> <description>2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone is a chemical compound with the formula C23H18N6OS. It has an average molecular weight of 426.50 g/mol.</description> <cas>445250-13-5</cas> <pubchem-id>1242125</pubchem-id> <chemical-formula>C23H18N6OS</chemical-formula> <weight>426.5</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">2026-08-30T16:16:54Z</created-at> <updated-at type="dateTime">2026-08-30T16:16:54Z</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(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4C5=CC=CC=C5N=N4</moldb-smiles> <moldb-formula>C23H18N6OS</moldb-formula> <moldb-inchi>InChI=1S/C23H18N6OS/c30-21(17-9-3-1-4-10-17)16-31-23-26-25-22(29(23)18-11-5-2-6-12-18)15-28-20-14-8-7-13-19(20)24-27-28/h1-14H,15-16H2</moldb-inchi> <moldb-inchikey>QXUZXLRDMKPMPY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">426.1262804</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>CHEM330424</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>2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone</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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0285008</sync-id> <structure-inchikey>QXUZXLRDMKPMPY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400200000800000000800000000020000000000004000000000000000000040000002000004000000002084000000000400000000000000000000000000000000000000000400000000000020000000000000000000000010000000000010010000000000000400000002000000000100000000000800000000000000004000000000804000004000000000080000000100000000000000000000040000000000000000000000084000000000000000400000000000000400000000000000000000000800200000000100000000040000000000000200040001000000000040000000000040000000000400000000010000004048000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ��������������������#���€��@h�������@h�������@h�������@(������@h�������@h��������(�������(�������`������� �����@(������@(������@(������@(������@(������@(������@h�������@h�������@h�������@h�������@h��������`������@(������@(������@h�������@h�������@h�������@h�������@(������@(������@(��������h���h���h���h���h��� ��(����� � � �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">2026-09-19T05:36:21Z</structure-indexed-at> </compound>