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

Systemtic Name: 3-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-2-thioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid IUPAC Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Traditional Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-4-keto-2-thioxo-1H-pyrimidine-5-carboxylic acid Formula: C12H6ClF3N2O3S MolecularWeight: 350.70085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=O)C(=CNC2=S)C(=O)O)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1N2C(=O)C(=CNC2=S)C(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C12H6ClF3N2O3S/c13-8-2-1-5(3-7(8)12(14,15)16)18-9(19)6(10(20)21)4-17-11(18)22/h1-4H,(H,17,22)(H,20,21)