N-(2-cyanoethyl)-N-methyl-3-phenylsulfanyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-3-phenylsulfanyl-propanamide Openeye Name: N-(2-cyanoethyl)-N-methyl-3-phenylsulfanyl-propanamide CAS Name: N-(2-cyanoethyl)-N-methyl-3-(phenylthio)propanamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-3-phenylsulfanylpropanamide Traditional Name: N-(2-cyanoethyl)-N-methyl-3-(phenylthio)propionamide Formula: C13H16N2OS MolecularWeight: 248.34394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CCSC1=CC=CC=C1

Isomeric SMILES

CN(CCC#N)C(=O)CCSC1=CC=CC=C1

InChI

InChI=1S/C13H16N2OS/c1-15(10-5-9-14)13(16)8-11-17-12-6-3-2-4-7-12/h2-4,6-7H,5,8,10-11H2,1H3