2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(p-tolyl)acetamide CAS Name: 2-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide Traditional Name: 2-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-cyanoethyl)-N-(p-tolyl)acetamide Formula: C26H21ClN4O2S MolecularWeight: 488.98854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H21ClN4O2S/c1-18-7-11-20(12-8-18)30(16-4-15-28)24(32)17-34-26-29-23-6-3-2-5-22(23)25(33)31(26)21-13-9-19(27)10-14-21/h2-3,5-14H,4,16-17H2,1H3