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

Systemtic Name: 2-[[1-(3-methoxypropyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[1-(3-methoxypropyl)tetrazol-5-yl]sulfanylacetic acid CAS Name: 2-[[1-(3-methoxypropyl)-5-tetrazolyl]thio]acetic acid IUPAC Name: 2-[1-(3-methoxypropyl)tetrazol-5-yl]sulfanylacetic acid Traditional Name: 2-[[1-(3-methoxypropyl)tetrazol-5-yl]thio]acetic acid Formula: C7H12N4O3S MolecularWeight: 232.26018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=N1)SCC(=O)O

Isomeric SMILES

COCCCN1C(=NN=N1)SCC(=O)O

InChI

InChI=1S/C7H12N4O3S/c1-14-4-2-3-11-7(8-9-10-11)15-5-6(12)13/h2-5H2,1H3,(H,12,13)