3-(3-methyl-5-nitro-imidazol-4-yl)sulfanylpropanoic acid

Systemtic Name: 3-(3-methyl-5-nitro-imidazol-4-yl)sulfanylpropanoic acid Openeye Name: 3-(3-methyl-5-nitro-imidazol-4-yl)sulfanylpropanoic acid CAS Name: 3-[(3-methyl-5-nitro-4-imidazolyl)thio]propanoic acid IUPAC Name: 3-(3-methyl-5-nitroimidazol-4-yl)sulfanylpropanoic acid Traditional Name: 3-[(3-methyl-5-nitro-imidazol-4-yl)thio]propionic acid Formula: C7H9N3O4S MolecularWeight: 231.22906

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C7H9N3O4S/c1-9-4-8-6(10(13)14)7(9)15-3-2-5(11)12/h4H,2-3H2,1H3,(H,11,12)