5-diazanyl-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2,4-dinitro-aniline

Systemtic Name: 5-diazanyl-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2,4-dinitro-aniline Openeye Name: N-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-5-hydrazino-2,4-dinitro-aniline CAS Name: N-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-5-hydrazinyl-2,4-dinitroaniline IUPAC Name: N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-5-hydrazinyl-2,4-dinitroaniline Traditional Name: [5-[[2-(5-hydrazino-2,4-dinitro-anilino)ethylthio]methyl]-2-furyl]methyl-dimethyl-amine Formula: C16H22N6O5S MolecularWeight: 410.44808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O5S/c1-20(2)9-11-3-4-12(27-11)10-28-6-5-18-13-7-14(19-17)16(22(25)26)8-15(13)21(23)24/h3-4,7-8,18-19H,5-6,9-10,17H2,1-2H3