2-[[1-[(4-methylphenyl)methyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NN=N2)SCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NN=N2)SCC(=O)[O-]

InChI

InChI=1S/C11H12N4O2S/c1-8-2-4-9(5-3-8)6-15-11(12-13-14-15)18-7-10(16)17/h2-5H,6-7H2,1H3,(H,16,17)/p-1