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

Systemtic Name: methyl 4-phenethyl-2-sulfanylidene-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-phenethyl-2-thioxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-phenethyl-2-sulfanylidene-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-phenethyl-2-sulfanylidene-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-phenethyl-2-thioxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H19F3N2O2S MolecularWeight: 420.44797

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=S)NC1CCC2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(NC(=S)NC1CCC2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H19F3N2O2S/c1-28-19(27)17-16(12-7-13-5-3-2-4-6-13)25-20(29)26-18(17)14-8-10-15(11-9-14)21(22,23)24/h2-6,8-11,16H,7,12H2,1H3,(H2,25,26,29)