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

Systemtic Name: disodium 4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: disodium 4-(5-thioxo-2H-tetrazol-1-yl)benzoate CAS Name: disodium 4-(5-sulfanylidene-2H-tetrazol-1-yl)benzoate IUPAC Name: disodium 4-(5-sulfanylidene-2H-tetrazol-1-yl)benzoate Traditional Name: disodium 4-(5-thioxo-2H-tetrazol-1-yl)benzoate Formula: C8H5N4Na2O2S+ MolecularWeight: 267.19544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N4O2S.2Na/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;2*+1/p-1