5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Openeye Name: 5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid CAS Name: 5-[4-(methylthio)phenyl]-1-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Traditional Name: 5-[4-(methylthio)phenyl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C17H15N3O4S2/c1-25-13-6-2-11(3-7-13)16-10-15(17(21)22)19-20(16)12-4-8-14(9-5-12)26(18,23)24/h2-10H,1H3,(H,21,22)(H2,18,23,24)