(E)-N1'-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethyl]-N1-[4-(1H-imidazol-5-yl)butyl]-2-nitro-ethene-1,1-diamine

Systemtic Name: (E)-N1'-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethyl]-N1-[4-(1H-imidazol-5-yl)butyl]-2-nitro-ethene-1,1-diamine Openeye Name: (E)-N1'-[2-[(3-chloro-2-pyridyl)methylsulfanyl]ethyl]-N1-[4-(1H-imidazol-5-yl)butyl]-2-nitro-ethene-1,1-diamine CAS Name: (E)-N1'-[2-[(3-chloro-2-pyridinyl)methylthio]ethyl]-N1-[4-(1H-imidazol-5-yl)butyl]-2-nitroethene-1,1-diamine IUPAC Name: (E)-1-N'-[2-[(3-chloropyridin-2-yl)methylsulfanyl]ethyl]-1-N-[4-(1H-imidazol-5-yl)butyl]-2-nitroethene-1,1-diamine Traditional Name: 2-[(3-chloro-2-pyridyl)methylthio]ethyl-[(E)-1-[4-(1H-imidazol-5-yl)butylamino]-2-nitro-vinyl]amine Formula: C17H23ClN6O2S MolecularWeight: 410.92152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CSCCNC(=C[N+](=O)[O-])NCCCCC2=CN=CN2)Cl

Isomeric SMILES

C1=CC(=C(N=C1)CSCCN/C(=C/[N+](=O)[O-])/NCCCCC2=CN=CN2)Cl

InChI

InChI=1S/C17H23ClN6O2S/c18-15-5-3-7-20-16(15)12-27-9-8-22-17(11-24(25)26)21-6-2-1-4-14-10-19-13-23-14/h3,5,7,10-11,13,21-22H,1-2,4,6,8-9,12H2,(H,19,23)/b17-11+