methyl 2-methylsulfanyl-6-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate

Systemtic Name: methyl 2-methylsulfanyl-6-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate Openeye Name: methyl 2-methylsulfanyl-6-oxo-1-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate CAS Name: 2-(methylthio)-6-oxo-1-[2-(trifluoromethyl)phenyl]-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-methylsulfanyl-6-oxo-1-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate Traditional Name: 6-keto-2-(methylthio)-1-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxylic acid methyl ester Formula: C14H11F3N2O3S MolecularWeight: 344.30895

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)N(C(=N1)SC)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=O)N(C(=N1)SC)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C14H11F3N2O3S/c1-22-12(21)9-7-11(20)19(13(18-9)23-2)10-6-4-3-5-8(10)14(15,16)17/h3-7H,1-2H3