N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC(=NC3=CC=CC=C32)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC(=NC3=CC=CC=C32)C)C

InChI

InChI=1S/C22H22N4OS/c1-15-11-16(2)13-18(12-15)26(10-6-9-23)21(27)14-28-22-19-7-4-5-8-20(19)24-17(3)25-22/h4-5,7-8,11-13H,6,10,14H2,1-3H3