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

Systemtic Name: 4-(4-azanyl-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 4-(4-amino-3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 4-(4-amino-3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 4-(4-amino-3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 4-(4-amino-5-keto-3-methyl-2-pyrazolin-1-yl)besylic acid Formula: C10H11N3O4S MolecularWeight: 269.27704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1N)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C10H11N3O4S/c1-6-9(11)10(14)13(12-6)7-2-4-8(5-3-7)18(15,16)17/h2-5,9H,11H2,1H3,(H,15,16,17)