4-[2-[4-(diethylamino)but-2-ynylsulfanyl]-5-nitro-benzimidazol-1-yl]-N,N-diethyl-but-2-yn-1-amine

Systemtic Name: 4-[2-[4-(diethylamino)but-2-ynylsulfanyl]-5-nitro-benzimidazol-1-yl]-N,N-diethyl-but-2-yn-1-amine Openeye Name: 4-[2-[4-(diethylamino)but-2-ynylsulfanyl]-5-nitro-benzimidazol-1-yl]-N,N-diethyl-but-2-yn-1-amine CAS Name: 4-[2-[4-(diethylamino)but-2-ynylthio]-5-nitro-1-benzimidazolyl]-N,N-diethyl-2-butyn-1-amine IUPAC Name: 4-[2-[4-(diethylamino)but-2-ynylsulfanyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylbut-2-yn-1-amine Traditional Name: 4-[[1-[4-(diethylamino)but-2-ynyl]-5-nitro-benzimidazol-2-yl]thio]but-2-ynyl-diethyl-amine Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1SCC#CCN(CC)CC

Isomeric SMILES

CCN(CC)CC#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1SCC#CCN(CC)CC

InChI

InChI=1S/C23H31N5O2S/c1-5-25(6-2)15-9-10-17-27-22-14-13-20(28(29)30)19-21(22)24-23(27)31-18-12-11-16-26(7-3)8-4/h13-14,19H,5-8,15-18H2,1-4H3