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

Systemtic Name: 2-[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-[[7-chloro-3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(m-tolyl)quinazolin-2-yl]thio]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C25H19ClN4O2S MolecularWeight: 474.96196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C25H19ClN4O2S/c1-16-3-2-4-20(13-16)30-24(32)21-10-7-18(26)14-22(21)29-25(30)33-15-23(31)28-19-8-5-17(6-9-19)11-12-27/h2-10,13-14H,11,15H2,1H3,(H,28,31)