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

Systemtic Name: methyl 2-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanoate Openeye Name: methyl 2-[4-(4-methylsulfonylphenyl)-3-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl]acetate CAS Name: 2-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)-1-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetate Traditional Name: 2-[4-(4-mesylphenyl)-3-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl]acetic acid methyl ester Formula: C19H16F3N3O4S MolecularWeight: 439.40825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16F3N3O4S/c1-29-15(26)11-25-18(19(20,21)22)16(17(24-25)13-7-9-23-10-8-13)12-3-5-14(6-4-12)30(2,27)28/h3-10H,11H2,1-2H3