2-[(3-bromophenyl)methylsulfanyl]-N-butyl-pyridine-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-butyl-pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-butyl-pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-butyl-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-butylpyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-butyl-nicotinamide Formula: C17H19BrN2OS MolecularWeight: 379.31456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N=CC=C1)SCC2=CC(=CC=C2)Br

Isomeric SMILES

CCCCNC(=O)C1=C(N=CC=C1)SCC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H19BrN2OS/c1-2-3-9-19-16(21)15-8-5-10-20-17(15)22-12-13-6-4-7-14(18)11-13/h4-8,10-11H,2-3,9,12H2,1H3,(H,19,21)