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

Systemtic Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: 3-(4-methylsulfonylphenyl)-4-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate IUPAC Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-mesylphenyl)-4-(p-tolyl)-1H-pyrazole-5-carboxylate Formula: C18H15N2O4S- MolecularWeight: 355.3877

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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)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(NN=C2C3=CC=C(C=C3)S(=O)(=O)C)C(=O)[O-]

InChI

InChI=1S/C18H16N2O4S/c1-11-3-5-12(6-4-11)15-16(19-20-17(15)18(21)22)13-7-9-14(10-8-13)25(2,23)24/h3-10H,1-2H3,(H,19,20)(H,21,22)/p-1