2-(3-methyl-5-nitro-imidazol-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanylethanoic acid Openeye Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanylacetic acid CAS Name: 2-[(3-methyl-5-nitro-4-imidazolyl)thio]acetic acid IUPAC Name: 2-(3-methyl-5-nitroimidazol-4-yl)sulfanylacetic acid Traditional Name: 2-[(3-methyl-5-nitro-imidazol-4-yl)thio]acetic acid Formula: C6H7N3O4S MolecularWeight: 217.20248

Click to see the large picture

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)