4-[(5-azanyl-1H-1,2,4-triazol-3-yl)amino]benzenesulfonic acid

Systemtic Name: 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)amino]benzenesulfonic acid Openeye Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzenesulfonic acid CAS Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzenesulfonic acid IUPAC Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzenesulfonic acid Traditional Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]besylic acid Formula: C8H9N5O3S MolecularWeight: 255.25376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NNC(=N2)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=NNC(=N2)N)S(=O)(=O)O

InChI

InChI=1S/C8H9N5O3S/c9-7-11-8(13-12-7)10-5-1-3-6(4-2-5)17(14,15)16/h1-4H,(H,14,15,16)(H4,9,10,11,12,13)