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

Systemtic Name: (4R)-6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (4R)-6-methyl-2-thioxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate IUPAC Name: (4R)-6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-methyl-2-thioxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Formula: C13H10F3N2O2S- MolecularWeight: 315.29091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=CC=C2C(F)(F)F)C(=O)[O-]

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC=CC=C2C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C13H11F3N2O2S/c1-6-9(11(19)20)10(18-12(21)17-6)7-4-2-3-5-8(7)13(14,15)16/h2-5,10H,1H3,(H,19,20)(H2,17,18,21)/p-1/t10-/m1/s1