2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid CAS Name: 2-[(5-nitro-1H-imidazol-4-yl)thio]acetic acid IUPAC Name: 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-nitro-1H-imidazol-4-yl)thio]acetic acid Formula: C5H5N3O4S MolecularWeight: 203.1759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H5N3O4S/c9-3(10)1-13-5-4(8(11)12)6-2-7-5/h2H,1H2,(H,6,7)(H,9,10)