2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]benzoic acid

Systemtic Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]benzoic acid Openeye Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]benzoic acid CAS Name: 2-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]benzoic acid IUPAC Name: 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]benzoic acid Traditional Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]benzoic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCSC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCSC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c1-9-14-8-12(16(19)20)15(9)6-7-21-11-5-3-2-4-10(11)13(17)18/h2-5,8H,6-7H2,1H3,(H,17,18)