sodium 4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoic acid

Systemtic Name: sodium 4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoic acid Openeye Name: sodium 4-(5-thioxo-2H-tetrazol-1-yl)benzoic acid CAS Name: sodium 4-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic acid IUPAC Name: sodium 4-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic acid Traditional Name: sodium 4-(5-thioxo-2H-tetrazol-1-yl)benzoic acid Formula: C8H6N4NaO2S+ MolecularWeight: 245.21361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C(=S)N=NN2.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C(=S)N=NN2.[Na+]

InChI

InChI=1S/C8H6N4O2S.Na/c13-7(14)5-1-3-6(4-2-5)12-8(15)9-10-11-12;/h1-4H,(H,13,14)(H,9,11,15);/q;+1