ethyl 1-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylate

Systemtic Name: ethyl 1-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylate Openeye Name: ethyl 1-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylate CAS Name: 1-(2-methylsulfonyl-4-pyrimidinyl)-2-[3-(trifluoromethyl)phenyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylate Traditional Name: 1-(2-mesylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid ethyl ester Formula: C18H15F3N4O4S MolecularWeight: 440.39631

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=N1)C2=CC(=CC=C2)C(F)(F)F)C3=NC(=NC=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CN(C(=N1)C2=CC(=CC=C2)C(F)(F)F)C3=NC(=NC=C3)S(=O)(=O)C

InChI

InChI=1S/C18H15F3N4O4S/c1-3-29-16(26)13-10-25(14-7-8-22-17(24-14)30(2,27)28)15(23-13)11-5-4-6-12(9-11)18(19,20)21/h4-10H,3H2,1-2H3