(E)-N1'-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanylmethyl]-N1-methyl-2-nitro-ethene-1,1-diamine

Systemtic Name: (E)-N1'-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanylmethyl]-N1-methyl-2-nitro-ethene-1,1-diamine Openeye Name: (E)-N1'-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanylmethyl]-N1-methyl-2-nitro-ethene-1,1-diamine CAS Name: (E)-N1'-[[[5-(dimethylaminomethyl)-2-furanyl]methylthio]methyl]-N1-methyl-2-nitroethene-1,1-diamine IUPAC Name: (E)-1-N'-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanylmethyl]-1-N-methyl-2-nitroethene-1,1-diamine Traditional Name: dimethyl-[[5-[[[[(E)-1-(methylamino)-2-nitro-vinyl]amino]methylthio]methyl]-2-furyl]methyl]amine Formula: C12H20N4O3S MolecularWeight: 300.3772

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=C[N+](=O)[O-])NCSCC1=CC=C(O1)CN(C)C

Isomeric SMILES

CN/C(=C\[N+](=O)[O-])/NCSCC1=CC=C(O1)CN(C)C

InChI

InChI=1S/C12H20N4O3S/c1-13-12(7-16(17)18)14-9-20-8-11-5-4-10(19-11)6-15(2)3/h4-5,7,13-14H,6,8-9H2,1-3H3/b12-7+