N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H17ClN4OS/c1-14-23-18-9-3-2-8-17(18)20(24-14)27-13-19(26)25(11-5-10-22)16-7-4-6-15(21)12-16/h2-4,6-9,12H,5,11,13H2,1H3