methyl 3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: methyl 3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-5-carboxylate Openeye Name: methyl 2-(4-methylsulfonylphenyl)-3-(p-tolyl)-3,4-dihydropyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-5-carboxylate Traditional Name: 1-(4-mesylphenyl)-5-(p-tolyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C19H20N2O4S/c1-13-4-6-14(7-5-13)18-12-17(19(22)25-2)20-21(18)15-8-10-16(11-9-15)26(3,23)24/h4-11,18H,12H2,1-3H3