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

Systemtic Name: 3-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanoate Openeye Name: 3-[1-(o-tolyl)tetrazol-5-yl]sulfanylpropanoate CAS Name: 3-[[1-(2-methylphenyl)-5-tetrazolyl]thio]propanoate IUPAC Name: 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanoate Traditional Name: 3-[[1-(o-tolyl)tetrazol-5-yl]thio]propionate Formula: C11H11N4O2S- MolecularWeight: 263.29564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SCCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SCCC(=O)[O-]

InChI

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