methyl 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: methyl 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: methyl 2-(2-pyridylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-(2-pyridinylthio)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(2-pyridylthio)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid methyl ester Formula: C12H8F3N3O2S MolecularWeight: 315.27103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(N=C1C(F)(F)F)SC2=CC=CC=N2

Isomeric SMILES

COC(=O)C1=CN=C(N=C1C(F)(F)F)SC2=CC=CC=N2

InChI

InChI=1S/C12H8F3N3O2S/c1-20-10(19)7-6-17-11(18-9(7)12(13,14)15)21-8-4-2-3-5-16-8/h2-6H,1H3