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

Systemtic Name: 2-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)octanoic acid Openeye Name: 2-(5-thioxo-2H-tetrazol-1-yl)octanoic acid CAS Name: 2-(5-sulfanylidene-2H-tetrazol-1-yl)octanoic acid IUPAC Name: 2-(5-sulfanylidene-2H-tetrazol-1-yl)octanoic acid Traditional Name: 2-(5-thioxo-2H-tetrazol-1-yl)caprylic acid Formula: C9H16N4O2S MolecularWeight: 244.31394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)N1C(=S)N=NN1

Isomeric SMILES

CCCCCCC(C(=O)O)N1C(=S)N=NN1

InChI

InChI=1S/C9H16N4O2S/c1-2-3-4-5-6-7(8(14)15)13-9(16)10-11-12-13/h7H,2-6H2,1H3,(H,14,15)(H,10,12,16)