methyl 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: methyl 3-(4-methylsulfonylphenyl)-4-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-mesylphenyl)-4-(p-tolyl)-1H-pyrazole-5-carboxylic acid methyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(NN=C2C3=CC=C(C=C3)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(NN=C2C3=CC=C(C=C3)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C19H18N2O4S/c1-12-4-6-13(7-5-12)16-17(20-21-18(16)19(22)25-2)14-8-10-15(11-9-14)26(3,23)24/h4-11H,1-3H3,(H,20,21)