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

Systemtic Name: N1-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-N3-(3-nitropyridin-2-yl)benzene-1,3-diamine Openeye Name: N1-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-4,6-dinitro-N3-(3-nitro-2-pyridyl)benzene-1,3-diamine CAS Name: N1-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-4,6-dinitro-N3-(3-nitro-2-pyridinyl)benzene-1,3-diamine IUPAC Name: 1-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(3-nitropyridin-2-yl)benzene-1,3-diamine Traditional Name: [5-[[2-[2,4-dinitro-5-[(3-nitro-2-pyridyl)amino]anilino]ethylthio]methyl]-2-furyl]methyl-dimethyl-amine Formula: C21H23N7O7S MolecularWeight: 517.51502

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSCCNC2=C(C=C(C(=C2)NC3=C(C=CC=N3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSCCNC2=C(C=C(C(=C2)NC3=C(C=CC=N3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H23N7O7S/c1-25(2)12-14-5-6-15(35-14)13-36-9-8-22-16-10-17(20(28(33)34)11-19(16)27(31)32)24-21-18(26(29)30)4-3-7-23-21/h3-7,10-11,22H,8-9,12-13H2,1-2H3,(H,23,24)