2-(3-chloranylpyridin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-(3-chloranylpyridin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[(3-chloro-2-pyridyl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[(3-chloro-2-pyridinyl)thio]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-(3-chloropyridin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[(3-chloro-2-pyridyl)thio]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide Formula: C18H18ClN3OS MolecularWeight: 359.87302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3OS/c1-13-9-14(2)11-15(10-13)22(8-4-6-20)17(23)12-24-18-16(19)5-3-7-21-18/h3,5,7,9-11H,4,8,12H2,1-2H3