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

Systemtic Name: (E)-N1'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N1-methyl-2-nitro-ethene-1,1-diamine hydrate Openeye Name: (E)-N1'-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-N1-methyl-2-nitro-ethene-1,1-diamine hydrate CAS Name: (E)-N1'-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-N1-methyl-2-nitroethene-1,1-diamine hydrate IUPAC Name: (E)-1-N'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine hydrate Traditional Name: dimethyl-[[5-[[2-[[(E)-1-(methylamino)-2-nitro-vinyl]amino]ethylthio]methyl]-2-furyl]methyl]amine hydrate Formula: C13H24N4O4S MolecularWeight: 332.41906

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C.O

Isomeric SMILES

CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C.O

InChI

InChI=1S/C13H22N4O3S.H2O/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H2/b13-9+;