2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(1-cyano-2-indolizinyl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(1-cyanoindolizin-2-yl)methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C20H19N5O2S2 MolecularWeight: 425.52716

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C20H19N5O2S2/c1-2-8-25-19-7-6-15(29(22,26)27)10-17(19)23-20(25)28-13-14-12-24-9-4-3-5-18(24)16(14)11-21/h3-7,9-10,12H,2,8,13H2,1H3,(H2,22,26,27)