4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid Openeye Name: 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid CAS Name: 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid Traditional Name: 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-mesylphenyl)pyrazole-3-carboxylic acid Formula: C19H14ClN3O4S MolecularWeight: 415.85016

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=C2C3=CC=C(C=C3)Cl)C(=O)O)CC#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=C2C3=CC=C(C=C3)Cl)C(=O)O)CC#N

InChI

InChI=1S/C19H14ClN3O4S/c1-28(26,27)15-8-4-13(5-9-15)17-16(12-2-6-14(20)7-3-12)18(19(24)25)23(22-17)11-10-21/h2-9H,11H2,1H3,(H,24,25)