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

Systemtic Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[[3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[[4-keto-3-(m-tolyl)quinazolin-2-yl]thio]acetamide Formula: C26H21FN4O2S MolecularWeight: 472.533943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21FN4O2S/c1-18-6-4-7-21(16-18)31-25(33)22-8-2-3-9-23(22)29-26(31)34-17-24(32)30(15-5-14-28)20-12-10-19(27)11-13-20/h2-4,6-13,16H,5,15,17H2,1H3