2-[1-(4-methylsulfonylphenyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-(4-methylsulfonylphenyl)imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-(4-methylsulfonylphenyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(4-methylsulfonylphenyl)-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-(4-methylsulfonylphenyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(4-mesylphenyl)imidazol-2-yl]thio]acetate Formula: C12H11N2O4S2- MolecularWeight: 311.35674

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C=CN=C2SCC(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C=CN=C2SCC(=O)[O-]

InChI

InChI=1S/C12H12N2O4S2/c1-20(17,18)10-4-2-9(3-5-10)14-7-6-13-12(14)19-8-11(15)16/h2-7H,8H2,1H3,(H,15,16)/p-1