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

Systemtic Name: 2-[[1-(2,6-diethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate Openeye Name: 2-[1-(2,6-diethylphenyl)tetrazol-5-yl]sulfanylacetate CAS Name: 2-[[1-(2,6-diethylphenyl)-5-tetrazolyl]thio]acetate IUPAC Name: 2-[1-(2,6-diethylphenyl)tetrazol-5-yl]sulfanylacetate Traditional Name: 2-[[1-(2,6-diethylphenyl)tetrazol-5-yl]thio]acetate Formula: C13H15N4O2S- MolecularWeight: 291.3488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=N2)SCC(=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=N2)SCC(=O)[O-]

InChI

InChI=1S/C13H16N4O2S/c1-3-9-6-5-7-10(4-2)12(9)17-13(14-15-16-17)20-8-11(18)19/h5-7H,3-4,8H2,1-2H3,(H,18,19)/p-1