2-(7-chloranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)ethanamide Openeye Name: 2-(7-chloro-4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide CAS Name: 2-[(7-chloro-4-oxo-3-phenyl-2-quinazolinyl)thio]-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide Traditional Name: 2-[(7-chloro-4-keto-3-phenyl-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide Formula: C25H18ClFN4O2S MolecularWeight: 492.952423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18ClFN4O2S/c26-17-7-12-21-22(15-17)29-25(31(24(21)33)20-5-2-1-3-6-20)34-16-23(32)30(14-4-13-28)19-10-8-18(27)9-11-19/h1-3,5-12,15H,4,14,16H2