N-(cyanomethyl)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[[3-(3,5-dimethylphenyl)-4-keto-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(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CC#N)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O2S/c1-18-14-19(2)16-21(15-18)30-25(32)22-10-6-7-11-23(22)28-26(30)33-17-24(31)29(13-12-27)20-8-4-3-5-9-20/h3-11,14-16H,13,17H2,1-2H3