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

Systemtic Name: N-(2-cyanoethyl)-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]acetamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O2S/c1-14-7-9-15(10-8-14)24-19(26)16-5-2-3-6-17(16)23-20(24)27-13-18(25)22-12-4-11-21/h2-3,5-10H,4,12-13H2,1H3,(H,22,25)