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2-[2-[3-(2-nitroimidazol-1-yl)propyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol

2-[2-[3-(2-nitroimidazol-1-yl)propyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol

Systemtic Name:2-[2-[3-(2-nitroimidazol-1-yl)propyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol
Openeye Name:2-[2-[3-(2-nitroimidazol-1-yl)propyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol
CAS Name:2-[2-[2-mercaptoethyl-[3-(2-nitro-1-imidazolyl)propyl]amino]ethylamino]ethanethiol
IUPAC Name:2-[2-[3-(2-nitroimidazol-1-yl)propyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol
Traditional Name:2-[2-[2-mercaptoethyl-[3-(2-nitroimidazol-1-yl)propyl]amino]ethylamino]ethanethiol
Formula: C12H23N5O2S2
MolecularWeight: 333.47332
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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=N1)[N+](=O)[O-])CCCN(CCNCCS)CCS


Isomeric SMILES

C1=CN(C(=N1)[N+](=O)[O-])CCCN(CCNCCS)CCS


InChI

InChI=1S/C12H23N5O2S2/c18-17(19)12-14-3-8-16(12)6-1-5-15(9-11-21)7-2-13-4-10-20/h3,8,13,20-21H,1-2,4-7,9-11H2


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