(E)-N1'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitro-N1-[2-(2-pyridin-2-ylethylsulfanyl)ethyl]ethene-1,1-diamine

Systemtic Name: (E)-N1'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitro-N1-[2-(2-pyridin-2-ylethylsulfanyl)ethyl]ethene-1,1-diamine Openeye Name: (E)-N1'-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-2-nitro-N1-[2-[2-(2-pyridyl)ethylsulfanyl]ethyl]ethene-1,1-diamine CAS Name: (E)-N1'-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-2-nitro-N1-[2-[2-(2-pyridinyl)ethylthio]ethyl]ethene-1,1-diamine IUPAC Name: (E)-1-N'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitro-1-N-[2-(2-pyridin-2-ylethylsulfanyl)ethyl]ethene-1,1-diamine Traditional Name: dimethyl-[[5-[[2-[[(E)-2-nitro-1-[2-[2-(2-pyridyl)ethylthio]ethylamino]vinyl]amino]ethylthio]methyl]-2-furyl]methyl]amine Formula: C21H31N5O3S2 MolecularWeight: 465.63254

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NCCSCCC2=CC=CC=N2

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSCCN/C(=C/[N+](=O)[O-])/NCCSCCC2=CC=CC=N2

InChI

InChI=1S/C21H31N5O3S2/c1-25(2)15-19-6-7-20(29-19)17-31-14-11-24-21(16-26(27)28)23-10-13-30-12-8-18-5-3-4-9-22-18/h3-7,9,16,23-24H,8,10-15,17H2,1-2H3/b21-16+