N1-methyl-N1'-[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitro-ethane-1,1-diamine

Systemtic Name: N1-methyl-N1'-[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitro-ethane-1,1-diamine Openeye Name: N1-methyl-N1'-[2-[[5-(methylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-2-nitro-ethane-1,1-diamine CAS Name: N1-methyl-N1'-[2-[[5-(methylaminomethyl)-2-furanyl]methylthio]ethyl]-2-nitroethane-1,1-diamine IUPAC Name: 1-N-methyl-1-N'-[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitroethane-1,1-diamine Traditional Name: methyl-[1-[2-[[5-(methylaminomethyl)-2-furyl]methylthio]ethylamino]-2-nitro-ethyl]amine Formula: C12H22N4O3S MolecularWeight: 302.39308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=C(O1)CSCCNC(C[N+](=O)[O-])NC

Isomeric SMILES

CNCC1=CC=C(O1)CSCCNC(C[N+](=O)[O-])NC

InChI

InChI=1S/C12H22N4O3S/c1-13-7-10-3-4-11(19-10)9-20-6-5-15-12(14-2)8-16(17)18/h3-4,12-15H,5-9H2,1-2H3