2-azanyl-3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-propanoic acid Openeye Name: 2-amino-3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-propanoic acid CAS Name: 2-amino-3-[(3-methyl-5-nitro-4-imidazolyl)thio]propanoic acid IUPAC Name: 2-amino-3-(3-methyl-5-nitroimidazol-4-yl)sulfanylpropanoic acid Traditional Name: 2-amino-3-[(3-methyl-5-nitro-imidazol-4-yl)thio]propionic acid Formula: C7H10N4O4S MolecularWeight: 246.2437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H10N4O4S/c1-10-3-9-5(11(14)15)6(10)16-2-4(8)7(12)13/h3-4H,2,8H2,1H3,(H,12,13)