300788 <common-name>3-[5-[(3-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine</common-name> <description>3-[5-[(3-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine belongs to the pyridyltriazoles, a subclass of pyridines and derivatives within the organic compounds. It is an organoheterocyclic compound with the formula C16H15BrN4S and an average molecular weight of 375.30 g/mol.</description> <cas>577698-04-5</cas> <pubchem-id>1988650</pubchem-id> <chemical-formula>C16H15BrN4S</chemical-formula> <weight>375.3</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">2026-08-28T17:43:19Z</created-at> <updated-at type="dateTime">2026-08-28T17:43:19Z</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>CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CN=CC=C3</moldb-smiles> <moldb-formula>C16H15BrN4S</moldb-formula> <moldb-inchi>InChI=1S/C16H15BrN4S/c1-2-21-15(13-6-4-8-18-10-13)19-20-16(21)22-11-12-5-3-7-14(17)9-12/h3-10H,2,11H2,1H3</moldb-inchi> <moldb-inchikey>DVXIAUOHZHBLNC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">374.02008</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM296681</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-[5-[(3-bromophenyl)methylsulfanyl]-4-ethyl-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>CED0252047</sync-id> <structure-inchikey>DVXIAUOHZHBLNC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000800000000800000000000000000000000000000000004000000002000000000004000000002000000000000004000001000004000000000000000000000000000000000000000000000000000000000000808010002200000000200000000000200000100000000400000100000000000000000100000001100040200000800000000000000100880000000000000000100000000000100000000000000000000000080000000000000000400000000000000800000100000000000020001000000100000000100000000000002000000220200000000000000000000004002040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAGAAAAIABBgBgAAAAAQMGAGAAAAAC AgdAKAAAAAMDBkAoAAAAAwQHQCgAAAADAwdAKAAAAAMDBkAoAAAAAwQQACAA AAACBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMB BkBoAAAAAwMBBkBoAAAAAwMBIwAgAAAAAQZAKAAAAAMEBkBoAAAAAwMBB0Ao AAAAAwMGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwELAAEAAQIAAgNoDAME aAwEBWgMBQZoDAYHAAcIAAgJAAkKaAwKC2gMCwxoDAwNaAwNDmgMCw8AAxAg EBFoDBESaAwSE2gMExRoDBQVaAwGAmgMDgloDBUQaAxCAwAAAAUCAwQFBgYK CwwNDgkGERITFBUQFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:44Z</structure-indexed-at> </compound>