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

Systemtic Name: 3-(5-azanylidene-3-methyl-4-oxidanylidene-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 3-(5-imino-3-methyl-4-oxo-pyrazol-1-yl)benzenesulfonic acid CAS Name: 3-(5-imino-3-methyl-4-oxo-1-pyrazolyl)benzenesulfonic acid IUPAC Name: 3-(5-imino-3-methyl-4-oxopyrazol-1-yl)benzenesulfonic acid Traditional Name: 3-(5-imino-4-keto-3-methyl-2-pyrazolin-1-yl)besylic acid Formula: C10H9N3O4S MolecularWeight: 267.26116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N)C1=O)C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=N)C1=O)C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C10H9N3O4S/c1-6-9(14)10(11)13(12-6)7-3-2-4-8(5-7)18(15,16)17/h2-5,11H,1H3,(H,15,16,17)