ethanedioic acid; 5-(4-methylsulfonylphenyl)-1H-pyrazol-3-amine

Systemtic Name: ethanedioic acid; 5-(4-methylsulfonylphenyl)-1H-pyrazol-3-amine Openeye Name: 5-(4-methylsulfonylphenyl)-1H-pyrazol-3-amine; oxalic acid CAS Name: 5-(4-methylsulfonylphenyl)-1H-pyrazol-3-amine; oxalic acid IUPAC Name: 5-(4-methylsulfonylphenyl)-1H-pyrazol-3-amine; oxalic acid Traditional Name: [5-(4-mesylphenyl)-1H-pyrazol-3-yl]amine; oxalic acid Formula: C12H13N3O6S MolecularWeight: 327.31312

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2)N.C(=O)(C(=O)O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H11N3O2S.C2H2O4/c1-16(14,15)8-4-2-7(3-5-8)9-6-10(11)13-12-9;3-1(4)2(5)6/h2-6H,1H3,(H3,11,12,13);(H,3,4)(H,5,6)