N-(2-cyanoethyl)-2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-(2-methoxyphenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-(2-methoxyphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-N-(2-methoxyphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]-N-(2-methoxyphenyl)acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)N(CCC#N)C2=CC=CC=C2OC)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)N(CCC#N)C2=CC=CC=C2OC)C

InChI

InChI=1S/C21H22N4O2S/c1-14-15(2)17(12-23)21(24-16(14)3)28-13-20(26)25(11-7-10-22)18-8-5-6-9-19(18)27-4/h5-6,8-9H,7,11,13H2,1-4H3