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

Systemtic Name: N3-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-benzene-1,3-diamine Openeye Name: N3-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-4,6-dinitro-benzene-1,3-diamine CAS Name: N3-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-4,6-dinitrobenzene-1,3-diamine IUPAC Name: 3-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine Traditional Name: [5-[[2-(5-amino-2,4-dinitro-anilino)ethylthio]methyl]-2-furyl]methyl-dimethyl-amine Formula: C16H21N5O5S MolecularWeight: 395.43344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSCCNC2=C(C=C(C(=C2)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSCCNC2=C(C=C(C(=C2)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O5S/c1-19(2)9-11-3-4-12(26-11)10-27-6-5-18-14-7-13(17)15(20(22)23)8-16(14)21(24)25/h3-4,7-8,18H,5-6,9-10,17H2,1-2H3