3-(3-methyl-5-nitro-imidazol-4-yl)sulfanylpropane-1,2-diol

Systemtic Name: 3-(3-methyl-5-nitro-imidazol-4-yl)sulfanylpropane-1,2-diol Openeye Name: 3-(3-methyl-5-nitro-imidazol-4-yl)sulfanylpropane-1,2-diol CAS Name: 3-[(3-methyl-5-nitro-4-imidazolyl)thio]propane-1,2-diol IUPAC Name: 3-(3-methyl-5-nitroimidazol-4-yl)sulfanylpropane-1,2-diol Traditional Name: 3-[(3-methyl-5-nitro-imidazol-4-yl)thio]propane-1,2-diol Formula: C7H11N3O4S MolecularWeight: 233.24494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11N3O4S/c1-9-4-8-6(10(13)14)7(9)15-3-5(12)2-11/h4-5,11-12H,2-3H2,1H3