329788 <common-name>2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-n-(2,6-dibromo-4-methylphenyl)acetamide</common-name> <description>2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-n-(2,6-dibromo-4-methylphenyl)acetamide is a chemical compound with the formula C22H16Br2ClN5OS. With an average molecular weight of 593.70 g/mol, 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-n-(2,6-dibromo-4-methylphenyl)acetamide is a heavy molecule.</description> <cas>618880-44-7</cas> <pubchem-id>5157459</pubchem-id> <chemical-formula>C22H16Br2ClN5OS</chemical-formula> <weight>593.7</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">2026-08-30T10:12:42Z</created-at> <updated-at type="dateTime">2026-08-30T10:12:42Z</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(=C(C(=C1)Br)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4)Br</moldb-smiles> <moldb-formula>C22H16Br2ClN5OS</moldb-formula> <moldb-inchi>InChI=1S/C22H16Br2ClN5OS/c1-13-10-17(23)20(18(24)11-13)27-19(31)12-32-22-29-28-21(14-6-8-26-9-7-14)30(22)16-4-2-15(25)3-5-16/h2-11H,12H2,1H3,(H,27,31)</moldb-inchi> <moldb-inchikey>LWEURMVWQPDANG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">590.91308</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.8</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>CHEM325681</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-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-n-(2,6-dibromo-4-methylphenyl)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>CED0280349</sync-id> <structure-inchikey>LWEURMVWQPDANG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000200000800000000800000000000000000000000080004000000000000000000000000004008000002580000000000000000000000000200000000000000080400000000000000040000020000000000000000000800010000000000000010080004000000000100000000000000100000000000000000000000000000040020000000000000000000080880000010000808000000000000000000000000000000000000000080000000000000000410000000000002c00000000000000000000001000000100000000000010000000002010000200000000000000008140000000002040020000000400000000410000000040000000000000</structure-fingerprint> 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