4-[4-[2-(4-morpholin-4-ylbut-2-ynylsulfanyl)-5-nitro-benzimidazol-1-yl]but-2-ynyl]morpholine

Systemtic Name: 4-[4-[2-(4-morpholin-4-ylbut-2-ynylsulfanyl)-5-nitro-benzimidazol-1-yl]but-2-ynyl]morpholine Openeye Name: 4-[4-[2-(4-morpholinobut-2-ynylsulfanyl)-5-nitro-benzimidazol-1-yl]but-2-ynyl]morpholine CAS Name: 4-[4-[2-[4-(4-morpholinyl)but-2-ynylthio]-5-nitro-1-benzimidazolyl]but-2-ynyl]morpholine IUPAC Name: 4-[4-[2-(4-morpholin-4-ylbut-2-ynylsulfanyl)-5-nitrobenzimidazol-1-yl]but-2-ynyl]morpholine Traditional Name: 4-[4-[2-(4-morpholinobut-2-ynylthio)-5-nitro-benzimidazol-1-yl]but-2-ynyl]morpholine Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC#CCN2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC#CCN4CCOCC4

Isomeric SMILES

C1COCCN1CC#CCN2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC#CCN4CCOCC4

InChI

InChI=1S/C23H27N5O4S/c29-28(30)20-5-6-22-21(19-20)24-23(33-18-4-3-8-26-12-16-32-17-13-26)27(22)9-2-1-7-25-10-14-31-15-11-25/h5-6,19H,7-18H2