325628 <common-name>3-[4-(4-bromophenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine</common-name> <description>3-[4-(4-bromophenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine is a chemical compound with the formula C21H17BrN4S. It has an average molecular weight of 437.40 g/mol.</description> <cas>678971-55-6</cas> <pubchem-id>1888588</pubchem-id> <chemical-formula>C21H17BrN4S</chemical-formula> <weight>437.4</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">2026-08-30T03:30:23Z</created-at> <updated-at type="dateTime">2026-08-30T03:30:23Z</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>CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4</moldb-smiles> <moldb-formula>C21H17BrN4S</moldb-formula> <moldb-inchi>InChI=1S/C21H17BrN4S/c1-15-4-2-5-16(12-15)14-27-21-25-24-20(17-6-3-11-23-13-17)26(21)19-9-7-18(22)8-10-19/h2-13H,14H2,1H3</moldb-inchi> <moldb-inchikey>BJJFNKFRTAUIPQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">436.03573</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.1</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>CHEM321521</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-[4-(4-bromophenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine</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>Pyridines and derivatives</klass> <subklass>Pyridyltriazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0276260</sync-id> <structure-inchikey>BJJFNKFRTAUIPQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000800000000800000000000000000000000000004000004000000000000000000004008000002000000000000004000001000000000000000000000000000000000000000000000000000000000000000000808010002000000000000000001000000000100000000400000100000000000000000004000001100140200000800000000000000004880000010000000000000000000000100000000000000000000000080000000000000000400000000000000c00000100000000000020001000000100004000100000000000002000000220200000000000000140000000002040000000000000000000000000000040000000000000</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�B������������ ��������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:29:29Z</structure-indexed-at> </compound>