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

Systemtic Name: methyl 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-mesylphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C20H16ClN3O4S MolecularWeight: 429.87674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NN1CC#N)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C(=NN1CC#N)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClN3O4S/c1-28-20(25)19-17(13-3-7-15(21)8-4-13)18(23-24(19)12-11-22)14-5-9-16(10-6-14)29(2,26)27/h3-10H,12H2,1-2H3