2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylic acid

Systemtic Name: 2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylic acid Openeye Name: 2-[(5-cyano-2-fluoro-phenyl)methylsulfanyl]-4-oxo-3-phenyl-quinazoline-7-carboxylic acid CAS Name: 2-[(5-cyano-2-fluorophenyl)methylthio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid IUPAC Name: 2-[(5-cyano-2-fluorophenyl)methylsulfanyl]-4-oxo-3-phenylquinazoline-7-carboxylic acid Traditional Name: 2-[(5-cyano-2-fluoro-benzyl)thio]-4-keto-3-phenyl-quinazoline-7-carboxylic acid Formula: C23H14FN3O3S MolecularWeight: 431.438963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCC4=C(C=CC(=C4)C#N)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCC4=C(C=CC(=C4)C#N)F

InChI

InChI=1S/C23H14FN3O3S/c24-19-9-6-14(12-25)10-16(19)13-31-23-26-20-11-15(22(29)30)7-8-18(20)21(28)27(23)17-4-2-1-3-5-17/h1-11H,13H2,(H,29,30)