3-(3-methyl-5-sulfanylidene-2H-1,2,3,4-tetrazol-3-ium-1-yl)benzenesulfonic acid

Systemtic Name: 3-(3-methyl-5-sulfanylidene-2H-1,2,3,4-tetrazol-3-ium-1-yl)benzenesulfonic acid Openeye Name: 3-(3-methyl-5-thioxo-2H-tetrazol-3-ium-1-yl)benzenesulfonic acid CAS Name: 3-(3-methyl-5-sulfanylidene-2H-tetrazol-3-ium-1-yl)benzenesulfonic acid IUPAC Name: 3-(3-methyl-5-sulfanylidene-2H-tetrazol-3-ium-1-yl)benzenesulfonic acid Traditional Name: 3-(3-methyl-5-thioxo-2H-tetrazol-3-ium-1-yl)besylic acid Formula: C8H9N4O3S2+ MolecularWeight: 273.31206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NC(=S)N(N1)C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

C[N+]1=NC(=S)N(N1)C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C8H8N4O3S2/c1-11-9-8(16)12(10-11)6-3-2-4-7(5-6)17(13,14)15/h2-5H,1H3,(H-,9,10,13,14,15,16)/p+1