N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(4-keto-1H-quinazolin-2-yl)thio]acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C21H20N4O2S/c1-14-10-15(2)12-16(11-14)25(9-5-8-22)19(26)13-28-21-23-18-7-4-3-6-17(18)20(27)24-21/h3-4,6-7,10-12H,5,9,13H2,1-2H3,(H,23,24,27)