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

Systemtic Name: N-(2-cyanoethyl)-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]-N-phenyl-acetamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O2S/c1-19-10-5-8-15-23(19)30-25(32)21-13-6-7-14-22(21)28-26(30)33-18-24(31)29(17-9-16-27)20-11-3-2-4-12-20/h2-8,10-15H,9,17-18H2,1H3