N-(2-cyanoethyl)-N-methyl-6-(phenylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-6-(phenylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 6-benzylsulfanyl-N-(2-cyanoethyl)-N-methyl-pyridine-3-carboxamide CAS Name: N-(2-cyanoethyl)-N-methyl-6-(phenylmethylthio)-3-pyridinecarboxamide IUPAC Name: 6-benzylsulfanyl-N-(2-cyanoethyl)-N-methylpyridine-3-carboxamide Traditional Name: 6-(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=CN=C(C=C1)SCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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