methyl 2-ethyl-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 2-ethyl-5-(4-methylsulfonylphenyl)-4-(p-tolyl)pyrazole-3-carboxylate CAS Name: 2-ethyl-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 2-ethyl-5-(4-mesylphenyl)-4-(p-tolyl)pyrazole-3-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C)C(=O)OC

Isomeric SMILES

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C)C(=O)OC

InChI

InChI=1S/C21H22N2O4S/c1-5-23-20(21(24)27-3)18(15-8-6-14(2)7-9-15)19(22-23)16-10-12-17(13-11-16)28(4,25)26/h6-13H,5H2,1-4H3