2-[5-(4-methylsulfanylphenyl)-1,2,3,4-tetrazol-2-yl]ethanoate

Systemtic Name: 2-[5-(4-methylsulfanylphenyl)-1,2,3,4-tetrazol-2-yl]ethanoate Openeye Name: 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetate CAS Name: 2-[5-[4-(methylthio)phenyl]-2-tetrazolyl]acetate IUPAC Name: 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetate Traditional Name: 2-[5-[4-(methylthio)phenyl]tetrazol-2-yl]acetate Formula: C10H9N4O2S- MolecularWeight: 249.26906

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)[O-]

InChI

InChI=1S/C10H10N4O2S/c1-17-8-4-2-7(3-5-8)10-11-13-14(12-10)6-9(15)16/h2-5H,6H2,1H3,(H,15,16)/p-1