ethyl 2-[3-(4-methylsulfonylphenyl)-4-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-(4-methylsulfonylphenyl)-4-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[3-(4-methylsulfonylphenyl)-4-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl]acetate CAS Name: 2-[3-(4-methylsulfonylphenyl)-4-pyridin-4-yl-5-(trifluoromethyl)-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-methylsulfonylphenyl)-4-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetate Traditional Name: 2-[3-(4-mesylphenyl)-4-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl]acetic acid ethyl ester Formula: C20H18F3N3O4S MolecularWeight: 453.43483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)CN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O4S/c1-3-30-16(27)12-26-19(20(21,22)23)17(13-8-10-24-11-9-13)18(25-26)14-4-6-15(7-5-14)31(2,28)29/h4-11H,3,12H2,1-2H3