[3,5-bis(trifluoromethyl)phenyl]methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: [3,5-bis(trifluoromethyl)phenyl]methyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [3,5-bis(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [3,5-bis(trifluoromethyl)benzyl] ester Formula: C15H12F6N2O2S MolecularWeight: 398.323399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H12F6N2O2S/c1-7-11(5-22-13(26)23-7)12(24)25-6-8-2-9(14(16,17)18)4-10(3-8)15(19,20)21/h2-4H,5-6H2,1H3,(H2,22,23,26)