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

Systemtic Name: N3-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-N1-propyl-benzene-1,3-diamine Openeye Name: N3-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-4,6-dinitro-N1-propyl-benzene-1,3-diamine CAS Name: N3-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-4,6-dinitro-N1-propylbenzene-1,3-diamine IUPAC Name: 3-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-1-N-propylbenzene-1,3-diamine Traditional Name: [5-[[2-[2,4-dinitro-5-(propylamino)anilino]ethylthio]methyl]-2-furyl]methyl-dimethyl-amine Formula: C19H27N5O5S MolecularWeight: 437.51318

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCSCC2=CC=C(O2)CN(C)C

Isomeric SMILES

CCCNC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCSCC2=CC=C(O2)CN(C)C

InChI

InChI=1S/C19H27N5O5S/c1-4-7-20-16-10-17(19(24(27)28)11-18(16)23(25)26)21-8-9-30-13-15-6-5-14(29-15)12-22(2)3/h5-6,10-11,20-21H,4,7-9,12-13H2,1-3H3