4-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanoic acid

Systemtic Name: 4-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanoic acid Openeye Name: 4-[1-(o-tolyl)tetrazol-5-yl]sulfanylbutanoic acid CAS Name: 4-[[1-(2-methylphenyl)-5-tetrazolyl]thio]butanoic acid IUPAC Name: 4-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-(o-tolyl)tetrazol-5-yl]thio]butyric acid Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SCCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SCCCC(=O)O

InChI

InChI=1S/C12H14N4O2S/c1-9-5-2-3-6-10(9)16-12(13-14-15-16)19-8-4-7-11(17)18/h2-3,5-6H,4,7-8H2,1H3,(H,17,18)