2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(3-o-phenetyl-1,2,4-oxadiazol-5-yl)methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=NO3)C4=CC=CC=C4OCC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=NO3)C4=CC=CC=C4OCC

InChI

InChI=1S/C21H23N5O4S2/c1-3-11-26-17-10-9-14(32(22,27)28)12-16(17)23-21(26)31-13-19-24-20(25-30-19)15-7-5-6-8-18(15)29-4-2/h5-10,12H,3-4,11,13H2,1-2H3,(H2,22,27,28)