4-phenylsulfanyl-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: 4-phenylsulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-phenylsulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: 4-(phenylthio)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-phenylsulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-(phenylthio)-N-(2-pyridylmethyl)butyramide Formula: C16H18N2OS MolecularWeight: 286.39192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)NCC2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)NCC2=CC=CC=N2

InChI

InChI=1S/C16H18N2OS/c19-16(18-13-14-7-4-5-11-17-14)10-6-12-20-15-8-2-1-3-9-15/h1-5,7-9,11H,6,10,12-13H2,(H,18,19)