4-(3-cyano-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 4-(3-cyano-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 4-(3-cyano-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 4-(3-cyano-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 4-(3-cyano-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 4-(3-cyano-5-keto-2-pyrazolin-1-yl)besylic acid Formula: C10H7N3O4S MolecularWeight: 265.24528

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C#N

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C#N

InChI

InChI=1S/C10H7N3O4S/c11-6-7-5-10(14)13(12-7)8-1-3-9(4-2-8)18(15,16)17/h1-4H,5H2,(H,15,16,17)