329709 <common-name>2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-n-[2-(trifluoromethyl)phenyl]acetamide</common-name> <description>2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-n-[2-(trifluoromethyl)phenyl]acetamide is a chemical compound with the formula C22H15BrF3N5OS. With an average molecular weight of 534.40 g/mol, 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-n-[2-(trifluoromethyl)phenyl]acetamide is a heavy molecule.</description> <cas>477330-74-8</cas> <pubchem-id>1420344</pubchem-id> <chemical-formula>C22H15BrF3N5OS</chemical-formula> <weight>534.4</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">2026-08-30T10:07:00Z</created-at> <updated-at type="dateTime">2026-08-30T10:07:00Z</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(F)(F)F)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4</moldb-smiles> <moldb-formula>C22H15BrF3N5OS</moldb-formula> <moldb-inchi>InChI=1S/C22H15BrF3N5OS/c23-15-7-9-16(10-8-15)31-20(14-4-3-11-27-12-14)29-30-21(31)33-13-19(32)28-18-6-2-1-5-17(18)22(24,25)26/h1-12H,13H2,(H,28,32)</moldb-inchi> <moldb-inchikey>BVCQLVGFRKQMCZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">533.01328</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5</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>CHEM325602</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-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-n-[2-(trifluoromethyl)phenyl]acetamide</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>CED0280270</sync-id> <structure-inchikey>BVCQLVGFRKQMCZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000200000800000002800000000000000000004000000004000004200000000000000000004008000002080000000100004000000000000000000000000000000000000000000000000000020000000000000000000808010000000000000014000000000000000000000000410000100000000000000000000000000100000000000800000000000000084880000010100000080000000000000000000000000000000000000080000000000000000450000000000002c00000100000000000020041000000100004000100000008000002000000200000000000000008040000000002040000000000400800008010000000040000000000000</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�B����������������������������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:32:28Z</structure-indexed-at> </compound>