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

Systemtic Name: (E)-N1'-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-N1-[4-(1H-1,2,4-triazol-5-yl)butyl]ethene-1,1-diamine Openeye Name: (E)-N1'-[2-[(3-chloro-2-pyridyl)methylsulfanyl]ethyl]-2-nitro-N1-[4-(1H-1,2,4-triazol-5-yl)butyl]ethene-1,1-diamine CAS Name: (E)-N1'-[2-[(3-chloro-2-pyridinyl)methylthio]ethyl]-2-nitro-N1-[4-(1H-1,2,4-triazol-5-yl)butyl]ethene-1,1-diamine IUPAC Name: (E)-1-N'-[2-[(3-chloropyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-1-N-[4-(1H-1,2,4-triazol-5-yl)butyl]ethene-1,1-diamine Traditional Name: 2-[(3-chloro-2-pyridyl)methylthio]ethyl-[(E)-2-nitro-1-[4-(1H-1,2,4-triazol-5-yl)butylamino]vinyl]amine Formula: C16H22ClN7O2S MolecularWeight: 411.90958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CSCCNC(=C[N+](=O)[O-])NCCCCC2=NC=NN2)Cl

Isomeric SMILES

C1=CC(=C(N=C1)CSCCN/C(=C/[N+](=O)[O-])/NCCCCC2=NC=NN2)Cl

InChI

InChI=1S/C16H22ClN7O2S/c17-13-4-3-7-18-14(13)11-27-9-8-20-16(10-24(25)26)19-6-2-1-5-15-21-12-22-23-15/h3-4,7,10,12,19-20H,1-2,5-6,8-9,11H2,(H,21,22,23)/b16-10+