4-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]-N2'-methyl-1-nitro-butane-2,2-diamine

Systemtic Name: 4-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]-N2'-methyl-1-nitro-butane-2,2-diamine Openeye Name: 4-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]-N2'-methyl-1-nitro-butane-2,2-diamine CAS Name: 4-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]-N2'-methyl-1-nitrobutane-2,2-diamine IUPAC Name: 4-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]-2-N'-methyl-1-nitrobutane-2,2-diamine Traditional Name: [5-[[[3-amino-3-(methylamino)-4-nitro-butyl]thio]methyl]-2-furyl]methyl-dimethyl-amine Formula: C13H24N4O3S MolecularWeight: 316.41966

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CCSCC1=CC=C(O1)CN(C)C)(C[N+](=O)[O-])N

Isomeric SMILES

CNC(CCSCC1=CC=C(O1)CN(C)C)(C[N+](=O)[O-])N

InChI

InChI=1S/C13H24N4O3S/c1-15-13(14,10-17(18)19)6-7-21-9-12-5-4-11(20-12)8-16(2)3/h4-5,15H,6-10,14H2,1-3H3