CHEBI:109239 - 3-[(6-bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-[(6-bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile ChEBI ID CHEBI:109239 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H19BrN2S Net Charge 0 Average Mass 363.316 Monoisotopic Mass 362.04523 InChI InChI=1S/C17H19BrN2S/c1-3-4-6-14-12(2)20-16-8-7-13(18)11-15(16)17(14)21-10-5-9-19/h7-8,11H,3-6,10H2,1-2H3 InChIKey DXCDMEQEVRYHCJ-UHFFFAOYSA-N SMILES CCCCC1=C(C2=C(C=CC(=C2)Br)N=C1C)SCCC#N ChEBI Ontology Outgoing 3-[(6-bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile (CHEBI:109239) is a organohalogen compound (CHEBI:17792) 3-[(6-bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile (CHEBI:109239) is a quinolines (CHEBI:26513) Manual Xref Database LSM-20636 LINCS View more database links