2-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate Openeye Name: 2-[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanylacetate CAS Name: 2-[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]acetate IUPAC Name: 2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetate Traditional Name: 2-[(1-p-cumenyltetrazol-5-yl)thio]acetate Formula: C12H13N4O2S- MolecularWeight: 277.32222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O2S/c1-8(2)9-3-5-10(6-4-9)16-12(13-14-15-16)19-7-11(17)18/h3-6,8H,7H2,1-2H3,(H,17,18)/p-1