2-[[1-(2-ethyl-6-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[1-(2-ethyl-6-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[1-(2-ethyl-6-methyl-phenyl)tetrazol-5-yl]sulfanylacetic acid CAS Name: 2-[[1-(2-ethyl-6-methylphenyl)-5-tetrazolyl]thio]acetic acid IUPAC Name: 2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]sulfanylacetic acid Traditional Name: 2-[[1-(2-ethyl-6-methyl-phenyl)tetrazol-5-yl]thio]acetic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C(=NN=N2)SCC(=O)O)C

Isomeric SMILES

CCC1=CC=CC(=C1N2C(=NN=N2)SCC(=O)O)C

InChI

InChI=1S/C12H14N4O2S/c1-3-9-6-4-5-8(2)11(9)16-12(13-14-15-16)19-7-10(17)18/h4-6H,3,7H2,1-2H3,(H,17,18)