N-(2-cyanoethyl)-N-(4-methylphenyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(2-methylquinazolin-4-yl)thio]-N-(p-tolyl)acetamide Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS/c1-15-8-10-17(11-9-15)25(13-5-12-22)20(26)14-27-21-18-6-3-4-7-19(18)23-16(2)24-21/h3-4,6-11H,5,13-14H2,1-2H3