N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetamide Formula: C25H19FN4O2S MolecularWeight: 458.507363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19FN4O2S/c26-18-11-13-19(14-12-18)29(16-6-15-27)23(31)17-33-25-28-22-10-5-4-9-21(22)24(32)30(25)20-7-2-1-3-8-20/h1-5,7-14H,6,16-17H2