N-butyl-6-(phenylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-butyl-6-(phenylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 6-benzylsulfanyl-N-butyl-pyridine-3-carboxamide CAS Name: N-butyl-6-(phenylmethylthio)-3-pyridinecarboxamide IUPAC Name: 6-benzylsulfanyl-N-butylpyridine-3-carboxamide Traditional Name: 6-(benzylthio)-N-butyl-nicotinamide Formula: C17H20N2OS MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN=C(C=C1)SCC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)C1=CN=C(C=C1)SCC2=CC=CC=C2

InChI

InChI=1S/C17H20N2OS/c1-2-3-11-18-17(20)15-9-10-16(19-12-15)21-13-14-7-5-4-6-8-14/h4-10,12H,2-3,11,13H2,1H3,(H,18,20)