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

Systemtic Name: methyl 2-(cyanomethyl)-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 2-(cyanomethyl)-5-(4-methylsulfonylphenyl)-4-(p-tolyl)pyrazole-3-carboxylate CAS Name: 2-(cyanomethyl)-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyanomethyl)-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 2-(cyanomethyl)-5-(4-mesylphenyl)-4-(p-tolyl)pyrazole-3-carboxylic acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-14-4-6-15(7-5-14)18-19(16-8-10-17(11-9-16)29(3,26)27)23-24(13-12-22)20(18)21(25)28-2/h4-11H,13H2,1-3H3