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

Systemtic Name: 2-[[1-(4-methylsulfonylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]sulfanylacetic acid CAS Name: 2-[[1-(4-methylsulfonylphenyl)-5-tetrazolyl]thio]acetic acid IUPAC Name: 2-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]sulfanylacetic acid Traditional Name: 2-[[1-(4-mesylphenyl)tetrazol-5-yl]thio]acetic acid Formula: C10H10N4O4S2 MolecularWeight: 314.3408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)O

InChI

InChI=1S/C10H10N4O4S2/c1-20(17,18)8-4-2-7(3-5-8)14-10(11-12-13-14)19-6-9(15)16/h2-5H,6H2,1H3,(H,15,16)