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

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylic acid Openeye Name: 2-(difluoromethylsulfanyl)-4-oxo-3-phenyl-quinazoline-7-carboxylic acid CAS Name: 2-(difluoromethylthio)-4-oxo-3-phenyl-7-quinazolinecarboxylic acid IUPAC Name: 2-(difluoromethylsulfanyl)-4-oxo-3-phenylquinazoline-7-carboxylic acid Traditional Name: 2-(difluoromethylthio)-4-keto-3-phenyl-quinazoline-7-carboxylic acid Formula: C16H10F2N2O3S MolecularWeight: 348.324006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SC(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SC(F)F

InChI

InChI=1S/C16H10F2N2O3S/c17-15(18)24-16-19-12-8-9(14(22)23)6-7-11(12)13(21)20(16)10-4-2-1-3-5-10/h1-8,15H,(H,22,23)