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

Systemtic Name: 2-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[1-(p-tolyl)tetrazol-5-yl]sulfanylacetic acid CAS Name: 2-[[1-(4-methylphenyl)-5-tetrazolyl]thio]acetic acid IUPAC Name: 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetic acid Traditional Name: 2-[[1-(p-tolyl)tetrazol-5-yl]thio]acetic acid Formula: C10H10N4O2S MolecularWeight: 250.277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)O

InChI

InChI=1S/C10H10N4O2S/c1-7-2-4-8(5-3-7)14-10(11-12-13-14)17-6-9(15)16/h2-5H,6H2,1H3,(H,15,16)