4-(3-azanyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonate

Systemtic Name: 4-(3-azanyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonate Openeye Name: 4-(3-amino-5-oxo-4H-pyrazol-1-yl)benzenesulfonate CAS Name: 4-(3-amino-5-oxo-4H-pyrazol-1-yl)benzenesulfonate IUPAC Name: 4-(3-amino-5-oxo-4H-pyrazol-1-yl)benzenesulfonate Traditional Name: 4-(3-amino-5-keto-2-pyrazolin-1-yl)besylate Formula: C9H8N3O4S- MolecularWeight: 254.24252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)[O-])N

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)[O-])N

InChI

InChI=1S/C9H9N3O4S/c10-8-5-9(13)12(11-8)6-1-3-7(4-2-6)17(14,15)16/h1-4H,5H2,(H2,10,11)(H,14,15,16)/p-1