N-[2-(phenylmethylsulfanyl)propyl]pyridine-3-carboxamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)propyl]pyridine-3-carboxamide Openeye Name: N-(2-benzylsulfanylpropyl)pyridine-3-carboxamide CAS Name: N-[2-(phenylmethylthio)propyl]-3-pyridinecarboxamide IUPAC Name: N-(2-benzylsulfanylpropyl)pyridine-3-carboxamide Traditional Name: N-[2-(benzylthio)propyl]nicotinamide Formula: C16H18N2OS MolecularWeight: 286.39192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CN=CC=C1)SCC2=CC=CC=C2

Isomeric SMILES

CC(CNC(=O)C1=CN=CC=C1)SCC2=CC=CC=C2

InChI

InChI=1S/C16H18N2OS/c1-13(20-12-14-6-3-2-4-7-14)10-18-16(19)15-8-5-9-17-11-15/h2-9,11,13H,10,12H2,1H3,(H,18,19)