2-[[1-(3-methylbutyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[1-(3-methylbutyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-(1-isopentyltetrazol-5-yl)sulfanylacetic acid CAS Name: 2-[[1-(3-methylbutyl)-5-tetrazolyl]thio]acetic acid IUPAC Name: 2-[1-(3-methylbutyl)tetrazol-5-yl]sulfanylacetic acid Traditional Name: 2-[(1-isoamyltetrazol-5-yl)thio]acetic acid Formula: C8H14N4O2S MolecularWeight: 230.28736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=N1)SCC(=O)O

Isomeric SMILES

CC(C)CCN1C(=NN=N1)SCC(=O)O

InChI

InChI=1S/C8H14N4O2S/c1-6(2)3-4-12-8(9-10-11-12)15-5-7(13)14/h6H,3-5H2,1-2H3,(H,13,14)