2-(cyanomethyl)-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate

Systemtic Name: 2-(cyanomethyl)-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: 2-(cyanomethyl)-5-(4-methylsulfonylphenyl)-4-(p-tolyl)pyrazole-3-carboxylate CAS Name: 2-(cyanomethyl)-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylate IUPAC Name: 2-(cyanomethyl)-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 2-(cyanomethyl)-5-(4-mesylphenyl)-4-(p-tolyl)pyrazole-3-carboxylate Formula: C20H16N3O4S- MolecularWeight: 394.42374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S/c1-13-3-5-14(6-4-13)17-18(22-23(12-11-21)19(17)20(24)25)15-7-9-16(10-8-15)28(2,26)27/h3-10H,12H2,1-2H3,(H,24,25)/p-1