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

Systemtic Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanylbenzoic acid Openeye Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanylbenzoic acid CAS Name: 2-[(3-methyl-5-nitro-4-imidazolyl)thio]benzoic acid IUPAC Name: 2-(3-methyl-5-nitroimidazol-4-yl)sulfanylbenzoic acid Traditional Name: 2-[(3-methyl-5-nitro-imidazol-4-yl)thio]benzoic acid Formula: C11H9N3O4S MolecularWeight: 279.27186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O4S/c1-13-6-12-9(14(17)18)10(13)19-8-5-3-2-4-7(8)11(15)16/h2-6H,1H3,(H,15,16)