2-(3-methyl-5-nitro-imidazol-4-yl)sulfanylethanoate

Systemtic Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanylethanoate Openeye Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanylacetate CAS Name: 2-[(3-methyl-5-nitro-4-imidazolyl)thio]acetate IUPAC Name: 2-(3-methyl-5-nitroimidazol-4-yl)sulfanylacetate Traditional Name: 2-[(3-methyl-5-nitro-imidazol-4-yl)thio]acetate Formula: C6H6N3O4S- MolecularWeight: 216.19454

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H7N3O4S/c1-8-3-7-5(9(12)13)6(8)14-2-4(10)11/h3H,2H2,1H3,(H,10,11)/p-1