2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]nicotinic acid Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCSC2=C(C=CC=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCSC2=C(C=CC=N2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O4S/c1-8-14-7-10(16(19)20)15(8)5-6-21-11-9(12(17)18)3-2-4-13-11/h2-4,7H,5-6H2,1H3,(H,17,18)