(phenylmethyl) 2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 2-thioxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-thioxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C13H11F3N2O2S MolecularWeight: 316.29885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(NC(=S)N1)C(F)(F)F)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1C(=C(NC(=S)N1)C(F)(F)F)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H11F3N2O2S/c14-13(15,16)10-9(6-17-12(21)18-10)11(19)20-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,17,18,21)