N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[(2,6-dimethyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[(2,6-dimethylpyrimidin-4-yl)thio]acetamide Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCC#N)C(=O)CSC2=NC(=NC(=C2)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCC#N)C(=O)CSC2=NC(=NC(=C2)C)C)C

InChI

InChI=1S/C19H22N4OS/c1-13-6-7-17(10-14(13)2)23(9-5-8-20)19(24)12-25-18-11-15(3)21-16(4)22-18/h6-7,10-11H,5,9,12H2,1-4H3