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

Systemtic Name: 2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]-3-(2-fluorophenyl)-4-oxidanylidene-quinazoline-7-carboxylic acid Openeye Name: 2-[(5-cyano-2-fluoro-phenyl)methylsulfanyl]-3-(2-fluorophenyl)-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-[(5-cyano-2-fluorophenyl)methylthio]-3-(2-fluorophenyl)-4-oxo-7-quinazolinecarboxylic acid IUPAC Name: 2-[(5-cyano-2-fluorophenyl)methylsulfanyl]-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxylic acid Traditional Name: 2-[(5-cyano-2-fluoro-benzyl)thio]-3-(2-fluorophenyl)-4-keto-quinazoline-7-carboxylic acid Formula: C23H13F2N3O3S MolecularWeight: 449.429426

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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)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)F

InChI

InChI=1S/C23H13F2N3O3S/c24-17-8-5-13(11-26)9-15(17)12-32-23-27-19-10-14(22(30)31)6-7-16(19)21(29)28(23)20-4-2-1-3-18(20)25/h1-10H,12H2,(H,30,31)