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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]acetamide Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C25H20N4O2S/c1-17-6-12-20(13-7-17)29-24(31)21-4-2-3-5-22(21)28-25(29)32-16-23(30)27-19-10-8-18(9-11-19)14-15-26/h2-13H,14,16H2,1H3,(H,27,30)