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

Systemtic Name: 2-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanylacetic acid CAS Name: 2-[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]acetic acid IUPAC Name: 2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetic acid Traditional Name: 2-[(1-p-cumenyltetrazol-5-yl)thio]acetic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O2S/c1-8(2)9-3-5-10(6-4-9)16-12(13-14-15-16)19-7-11(17)18/h3-6,8H,7H2,1-2H3,(H,17,18)