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

Systemtic Name: methyl 4-methyl-3-phenyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-methyl-3-phenyl-2-thioxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-3-phenyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-methyl-3-phenyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-methyl-3-phenyl-2-thioxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H17F3N2O2S MolecularWeight: 406.42139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17F3N2O2S/c1-12-16(18(26)27-2)17(14-10-6-7-11-15(14)20(21,22)23)24-19(28)25(12)13-8-4-3-5-9-13/h3-11,17H,1-2H3,(H,24,28)