3-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide

Systemtic Name: 3-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide Openeye Name: 3-oxo-N-[4-(3-pyridylmethylsulfanyl)phenyl]butanamide CAS Name: 3-oxo-N-[4-(3-pyridinylmethylthio)phenyl]butanamide IUPAC Name: 3-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide Traditional Name: 3-keto-N-[4-(3-pyridylmethylthio)phenyl]butyramide Formula: C16H16N2O2S MolecularWeight: 300.37544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC=C(C=C1)SCC2=CN=CC=C2

Isomeric SMILES

CC(=O)CC(=O)NC1=CC=C(C=C1)SCC2=CN=CC=C2

InChI

InChI=1S/C16H16N2O2S/c1-12(19)9-16(20)18-14-4-6-15(7-5-14)21-11-13-3-2-8-17-10-13/h2-8,10H,9,11H2,1H3,(H,18,20)