4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxylic acid

Systemtic Name: 4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxylic acid Openeye Name: 4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxylic acid CAS Name: 4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxylic acid IUPAC Name: 4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxylic acid Traditional Name: 4-keto-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxylic acid Formula: C16H9F3N2O3S MolecularWeight: 366.31447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S)C(F)(F)F

InChI

InChI=1S/C16H9F3N2O3S/c17-16(18,19)9-2-1-3-10(7-9)21-13(22)11-5-4-8(14(23)24)6-12(11)20-15(21)25/h1-7H,(H,20,25)(H,23,24)