2-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate Openeye Name: 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetate CAS Name: 2-[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]acetate IUPAC Name: 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetate Traditional Name: 2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]thio]acetate Formula: C11H11N4O2S- MolecularWeight: 263.29564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O2S/c1-7-4-3-5-8(2)10(7)15-11(12-13-14-15)18-6-9(16)17/h3-5H,6H2,1-2H3,(H,16,17)/p-1