(2-methyl-2-nitrososulfanyl-propyl) 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate

Systemtic Name: (2-methyl-2-nitrososulfanyl-propyl) 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: (2-methyl-2-nitrososulfanyl-propyl) 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid [2-methyl-2-(nitrosothio)propyl] ester IUPAC Name: (2-methyl-2-nitrososulfanylpropyl) 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid [2-methyl-2-(nitrosothio)propyl] ester Formula: C20H19ClN4O5S2 MolecularWeight: 494.97166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N)SN=O

Isomeric SMILES

CC(C)(COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N)SN=O

InChI

InChI=1S/C20H19ClN4O5S2/c1-20(2,31-24-27)12-30-19(26)17-11-18(13-3-5-14(21)6-4-13)25(23-17)15-7-9-16(10-8-15)32(22,28)29/h3-11H,12H2,1-2H3,(H2,22,28,29)