2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]ethanoate Openeye Name: 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate CAS Name: 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]acetate IUPAC Name: 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate Traditional Name: 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]acetate Formula: C6H6N3O4S- MolecularWeight: 216.19454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1)[N+](=O)[O-])SCC(=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1)[N+](=O)[O-])SCC(=O)[O-]

InChI

InChI=1S/C6H7N3O4S/c1-3-7-5(9(12)13)6(8-3)14-2-4(10)11/h2H2,1H3,(H,7,8)(H,10,11)/p-1