N-(2-cyanoethyl)-N-methyl-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-(benzylthio)-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSCC1=CC=CC=C1

Isomeric SMILES

CN(CCC#N)C(=O)CSCC1=CC=CC=C1

InChI

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