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

Systemtic Name: 2-(cyanomethyl)-4-(4-methylphenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: 2-(cyanomethyl)-4-(p-tolyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 2-(cyanomethyl)-4-(4-methylphenyl)-5-(4-sulfamoylphenyl)-3-pyrazolecarboxylate IUPAC Name: 2-(cyanomethyl)-4-(4-methylphenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 2-(cyanomethyl)-4-(p-tolyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Formula: C19H15N4O4S- MolecularWeight: 395.4118

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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)N)CC#N)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O4S/c1-12-2-4-13(5-3-12)16-17(22-23(11-10-20)18(16)19(24)25)14-6-8-15(9-7-14)28(21,26)27/h2-9H,11H2,1H3,(H,24,25)(H2,21,26,27)/p-1