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

Systemtic Name: disodium 2-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)pentanoic acid Openeye Name: disodium 2-(5-thioxo-2H-tetrazol-1-yl)pentanoic acid CAS Name: disodium 2-(5-sulfanylidene-2H-tetrazol-1-yl)pentanoic acid IUPAC Name: disodium 2-(5-sulfanylidene-2H-tetrazol-1-yl)pentanoic acid Traditional Name: disodium 2-(5-thioxo-2H-tetrazol-1-yl)valeric acid Formula: C6H10N4Na2O2S+2 MolecularWeight: 248.21374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)N1C(=S)N=NN1.[Na+].[Na+]

Isomeric SMILES

CCCC(C(=O)O)N1C(=S)N=NN1.[Na+].[Na+]

InChI

InChI=1S/C6H10N4O2S.2Na/c1-2-3-4(5(11)12)10-6(13)7-8-9-10;;/h4H,2-3H2,1H3,(H,11,12)(H,7,9,13);;/q;2*+1