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

Systemtic Name: N1-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-N3-phenyl-benzene-1,3-diamine Openeye Name: N1-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-4,6-dinitro-N3-phenyl-benzene-1,3-diamine CAS Name: N1-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-4,6-dinitro-N3-phenylbenzene-1,3-diamine IUPAC Name: 1-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-phenylbenzene-1,3-diamine Traditional Name: [5-[[2-(5-anilino-2,4-dinitro-anilino)ethylthio]methyl]-2-furyl]methyl-dimethyl-amine Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSCCNC2=C(C=C(C(=C2)NC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSCCNC2=C(C=C(C(=C2)NC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O5S/c1-25(2)14-17-8-9-18(32-17)15-33-11-10-23-19-12-20(24-16-6-4-3-5-7-16)22(27(30)31)13-21(19)26(28)29/h3-9,12-13,23-24H,10-11,14-15H2,1-2H3