N3-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N1-methyl-4,6-dinitro-benzene-1,3-diamine

Systemtic Name: N3-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N1-methyl-4,6-dinitro-benzene-1,3-diamine Openeye Name: N3-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-N1-methyl-4,6-dinitro-benzene-1,3-diamine CAS Name: N3-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-N1-methyl-4,6-dinitrobenzene-1,3-diamine IUPAC Name: 3-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-4,6-dinitrobenzene-1,3-diamine Traditional Name: dimethyl-[[5-[[2-[5-(methylamino)-2,4-dinitro-anilino]ethylthio]methyl]-2-furyl]methyl]amine Formula: C17H23N5O5S MolecularWeight: 409.46002

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCSCC2=CC=C(O2)CN(C)C

Isomeric SMILES

CNC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCSCC2=CC=C(O2)CN(C)C

InChI

InChI=1S/C17H23N5O5S/c1-18-14-8-15(17(22(25)26)9-16(14)21(23)24)19-6-7-28-11-13-5-4-12(27-13)10-20(2)3/h4-5,8-9,18-19H,6-7,10-11H2,1-3H3