N-(2-cyanoethyl)-N-methyl-2-(phenylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-(phenylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 2-benzylsulfanyl-N-(2-cyanoethyl)-N-methyl-pyridine-3-carboxamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-(phenylmethylthio)-3-pyridinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-(2-cyanoethyl)-N-methylpyridine-3-carboxamide Traditional Name: 2-(benzylthio)-N-(2-cyanoethyl)-N-methyl-nicotinamide Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)C1=C(N=CC=C1)SCC2=CC=CC=C2

Isomeric SMILES

CN(CCC#N)C(=O)C1=C(N=CC=C1)SCC2=CC=CC=C2

InChI

InChI=1S/C17H17N3OS/c1-20(12-6-10-18)17(21)15-9-5-11-19-16(15)22-13-14-7-3-2-4-8-14/h2-5,7-9,11H,6,12-13H2,1H3