(Z)-N-[2-[[6-(dimethylaminomethyl)-1-benzofuran-2-yl]methylsulfanyl]ethyl]-1-methylsulfanyl-2-nitro-ethenamine

Systemtic Name: (Z)-N-[2-[[6-(dimethylaminomethyl)-1-benzofuran-2-yl]methylsulfanyl]ethyl]-1-methylsulfanyl-2-nitro-ethenamine Openeye Name: (Z)-N-[2-[[6-(dimethylaminomethyl)benzofuran-2-yl]methylsulfanyl]ethyl]-1-methylsulfanyl-2-nitro-ethenamine CAS Name: (Z)-N-[2-[[6-(dimethylaminomethyl)-2-benzofuranyl]methylthio]ethyl]-1-(methylthio)-2-nitroethenamine IUPAC Name: (Z)-N-[2-[[6-(dimethylaminomethyl)-1-benzofuran-2-yl]methylsulfanyl]ethyl]-1-methylsulfanyl-2-nitroethenamine Traditional Name: dimethyl-[[2-[[2-[[(Z)-1-(methylthio)-2-nitro-vinyl]amino]ethylthio]methyl]benzofuran-6-yl]methyl]amine Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC2=C(C=C1)C=C(O2)CSCCNC(=C[N+](=O)[O-])SC

Isomeric SMILES

CN(C)CC1=CC2=C(C=C1)C=C(O2)CSCCN/C(=C/[N+](=O)[O-])/SC

InChI

InChI=1S/C17H23N3O3S2/c1-19(2)10-13-4-5-14-9-15(23-16(14)8-13)12-25-7-6-18-17(24-3)11-20(21)22/h4-5,8-9,11,18H,6-7,10,12H2,1-3H3/b17-11-