4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylic acid CAS Name: 4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-keto-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylic acid Formula: C12H7F3N2O3S MolecularWeight: 316.25579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C(=CNC2=S)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C(=CNC2=S)C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H7F3N2O3S/c13-12(14,15)6-2-1-3-7(4-6)17-9(18)8(10(19)20)5-16-11(17)21/h1-5H,(H,16,21)(H,19,20)