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

Systemtic Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]ethanoic acid Openeye Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]acetic acid CAS Name: 2-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]acetic acid IUPAC Name: 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]acetic acid Traditional Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]acetic acid Formula: C8H11N3O4S MolecularWeight: 245.25564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCSCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCSCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H11N3O4S/c1-6-9-4-7(11(14)15)10(6)2-3-16-5-8(12)13/h4H,2-3,5H2,1H3,(H,12,13)