3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzenesulfonate

Systemtic Name: 3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzenesulfonate Openeye Name: 3-(5-thioxo-2H-tetrazol-1-yl)benzenesulfonate CAS Name: 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzenesulfonate IUPAC Name: 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzenesulfonate Traditional Name: 3-(5-thioxo-2H-tetrazol-1-yl)besylate Formula: C7H5N4O3S2- MolecularWeight: 257.2696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])N2C(=S)N=NN2

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])N2C(=S)N=NN2

InChI

InChI=1S/C7H6N4O3S2/c12-16(13,14)6-3-1-2-5(4-6)11-7(15)8-9-10-11/h1-4H,(H,8,10,15)(H,12,13,14)/p-1