2-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenyl-ethanamide

Systemtic Name: 2-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: 2-[7-chloro-3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-[[7-chloro-3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-[[7-chloro-4-keto-3-(o-tolyl)quinazolin-2-yl]thio]-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C26H21ClN4O2S MolecularWeight: 488.98854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

InChI

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