propan-2-yl 2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-yl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-yl-pyrazole-3-carboxylate Openeye Name: isopropyl 2-methyl-4-(4-methylsulfonylphenyl)-5-(4-pyridyl)pyrazole-3-carboxylate CAS Name: 2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-yl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazole-3-carboxylate Traditional Name: 4-(4-mesylphenyl)-2-methyl-5-(4-pyridyl)pyrazole-3-carboxylic acid isopropyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C(=NN1C)C2=CC=NC=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)OC(=O)C1=C(C(=NN1C)C2=CC=NC=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H21N3O4S/c1-13(2)27-20(24)19-17(14-5-7-16(8-6-14)28(4,25)26)18(22-23(19)3)15-9-11-21-12-10-15/h5-13H,1-4H3