2-(1-methylimidazol-2-yl)sulfanylethanoate

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanylethanoate Openeye Name: 2-(1-methylimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-methyl-2-imidazolyl)thio]acetate IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-methylimidazol-2-yl)thio]acetate Formula: C6H7N2O2S- MolecularWeight: 171.19698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)[O-]

Isomeric SMILES

CN1C=CN=C1SCC(=O)[O-]

InChI

InChI=1S/C6H8N2O2S/c1-8-3-2-7-6(8)11-4-5(9)10/h2-3H,4H2,1H3,(H,9,10)/p-1