ethyl 4-(4-cyanophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-cyanophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-cyanophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate CAS Name: 4-(4-cyanophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylmethylthio)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate Traditional Name: 4-(4-cyanophenyl)-2-(2-imidazolin-2-ylmethylthio)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H24F3N5O2S MolecularWeight: 527.56127

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC1C2=CC=C(C=C2)C#N)SCC3=NCCN3)C4=CC=CC(=C4)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC1C2=CC=C(C=C2)C#N)SCC3=NCCN3)C4=CC=CC(=C4)C(F)(F)F)C

InChI

InChI=1S/C26H24F3N5O2S/c1-3-36-24(35)22-16(2)34(20-6-4-5-19(13-20)26(27,28)29)25(37-15-21-31-11-12-32-21)33-23(22)18-9-7-17(14-30)8-10-18/h4-10,13,23H,3,11-12,15H2,1-2H3,(H,31,32)