3,5-bis(chloranyl)-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-benzoic acid Openeye Name: 3,5-dichloro-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-benzoic acid CAS Name: 3,5-dichloro-2-[(3-methyl-5-nitro-4-imidazolyl)thio]benzoic acid IUPAC Name: 3,5-dichloro-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylbenzoic acid Traditional Name: 3,5-dichloro-2-[(3-methyl-5-nitro-imidazol-4-yl)thio]benzoic acid Formula: C11H7Cl2N3O4S MolecularWeight: 348.16198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7Cl2N3O4S/c1-15-4-14-9(16(19)20)10(15)21-8-6(11(17)18)2-5(12)3-7(8)13/h2-4H,1H3,(H,17,18)