N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(2-pyridylsulfanyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(2-pyridinylthio)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(2-pyridylthio)acetamide Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCC#N)C(=O)CSC2=CC=CC=N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCC#N)C(=O)CSC2=CC=CC=N2)C

InChI

InChI=1S/C18H19N3OS/c1-14-7-8-16(12-15(14)2)21(11-5-9-19)18(22)13-23-17-6-3-4-10-20-17/h3-4,6-8,10,12H,5,11,13H2,1-2H3