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

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: [2-(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 [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(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 [2-(trifluoromethyl)benzyl] ester Formula: C14H13F3N2O2S MolecularWeight: 330.32543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C14H13F3N2O2S/c1-8-10(6-18-13(22)19-8)12(20)21-7-9-4-2-3-5-11(9)14(15,16)17/h2-5H,6-7H2,1H3,(H2,18,19,22)