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N-methylperoxysulfanyl-3-[(4-nitroimidazol-1-yl)methyl]aniline

N-methylperoxysulfanyl-3-[(4-nitroimidazol-1-yl)methyl]aniline

Systemtic Name:N-methylperoxysulfanyl-3-[(4-nitroimidazol-1-yl)methyl]aniline
Openeye Name:N-methylperoxysulfanyl-3-[(4-nitroimidazol-1-yl)methyl]aniline
CAS Name:1-[[3-[(methyldioxythio)amino]phenyl]methyl]-4-nitroimidazole
IUPAC Name:N-methylperoxysulfanyl-3-[(4-nitroimidazol-1-yl)methyl]aniline
Traditional Name:(methylperoxythio)-[3-[(4-nitroimidazol-1-yl)methyl]phenyl]amine
Formula: C11H12N4O4S
MolecularWeight: 296.30238
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Descriptors Computed from Structure

Canonical SMILES:

COOSNC1=CC=CC(=C1)CN2C=C(N=C2)[N+](=O)[O-]


Isomeric SMILES

COOSNC1=CC=CC(=C1)CN2C=C(N=C2)[N+](=O)[O-]


InChI

InChI=1S/C11H12N4O4S/c1-18-19-20-13-10-4-2-3-9(5-10)6-14-7-11(12-8-14)15(16)17/h2-5,7-8,13H,6H2,1H3


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