3-[(5-nitro-1H-imidazol-4-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(5-nitro-1H-imidazol-4-yl)sulfanyl]propanoic acid Openeye Name: 3-[(5-nitro-1H-imidazol-4-yl)sulfanyl]propanoic acid CAS Name: 3-[(5-nitro-1H-imidazol-4-yl)thio]propanoic acid IUPAC Name: 3-[(5-nitro-1H-imidazol-4-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-nitro-1H-imidazol-4-yl)thio]propionic acid Formula: C6H7N3O4S MolecularWeight: 217.20248

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C(N1)[N+](=O)[O-])SCCC(=O)O

Isomeric SMILES

C1=NC(=C(N1)[N+](=O)[O-])SCCC(=O)O

InChI

InChI=1S/C6H7N3O4S/c10-4(11)1-2-14-6-5(9(12)13)7-3-8-6/h3H,1-2H2,(H,7,8)(H,10,11)