[3-(4-methylsulfonylphenyl)-4-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl] propanoate

Systemtic Name: [3-(4-methylsulfonylphenyl)-4-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl] propanoate Openeye Name: [3-(4-methylsulfonylphenyl)-4-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl] propanoate CAS Name: propanoic acid [3-(4-methylsulfonylphenyl)-4-pyridin-4-yl-5-(trifluoromethyl)-1-pyrazolyl] ester IUPAC Name: [3-(4-methylsulfonylphenyl)-4-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl] propanoate Traditional Name: propionic acid [3-(4-mesylphenyl)-4-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl] ester Formula: C19H16F3N3O4S MolecularWeight: 439.40825

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ON1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3)C(F)(F)F

Isomeric SMILES

CCC(=O)ON1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3)C(F)(F)F

InChI

InChI=1S/C19H16F3N3O4S/c1-3-15(26)29-25-18(19(20,21)22)16(12-8-10-23-11-9-12)17(24-25)13-4-6-14(7-5-13)30(2,27)28/h4-11H,3H2,1-2H3