methyl 3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-(4-methoxyphenyl)-4-methyl-2-thioxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(4-methoxyphenyl)-4-methyl-2-thioxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H19F3N2O3S MolecularWeight: 436.44737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)OC)C3=CC=CC=C3C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)OC)C3=CC=CC=C3C(F)(F)F)C(=O)OC

InChI

InChI=1S/C21H19F3N2O3S/c1-12-17(19(27)29-3)18(15-6-4-5-7-16(15)21(22,23)24)25-20(30)26(12)13-8-10-14(28-2)11-9-13/h4-11,18H,1-3H3,(H,25,30)