(E)-N1-[2-[(2-azanyl-1H-imidazol-5-yl)methylsulfanyl]ethyl]-N1'-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine

Systemtic Name: (E)-N1-[2-[(2-azanyl-1H-imidazol-5-yl)methylsulfanyl]ethyl]-N1'-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine Openeye Name: (E)-N1-[2-[(2-amino-1H-imidazol-5-yl)methylsulfanyl]ethyl]-N1'-[2-[(3-chloro-2-pyridyl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine CAS Name: (E)-N1-[2-[(2-amino-1H-imidazol-5-yl)methylthio]ethyl]-N1'-[2-[(3-chloro-2-pyridinyl)methylthio]ethyl]-2-nitroethene-1,1-diamine IUPAC Name: (E)-1-N-[2-[(2-amino-1H-imidazol-5-yl)methylsulfanyl]ethyl]-1-N'-[2-[(3-chloropyridin-2-yl)methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine Traditional Name: 2-[(2-amino-1H-imidazol-5-yl)methylthio]ethyl-[(E)-1-[2-[(3-chloro-2-pyridyl)methylthio]ethylamino]-2-nitro-vinyl]amine Formula: C16H22ClN7O2S2 MolecularWeight: 443.97458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CSCCNC(=C[N+](=O)[O-])NCCSCC2=CN=C(N2)N)Cl

Isomeric SMILES

C1=CC(=C(N=C1)CSCCN/C(=C/[N+](=O)[O-])/NCCSCC2=CN=C(N2)N)Cl

InChI

InChI=1S/C16H22ClN7O2S2/c17-13-2-1-3-19-14(13)11-28-7-5-21-15(9-24(25)26)20-4-6-27-10-12-8-22-16(18)23-12/h1-3,8-9,20-21H,4-7,10-11H2,(H3,18,22,23)/b15-9+