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

Systemtic Name: 1-butyl-2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]benzimidazole-5-sulfonamide Formula: C20H20ClN5O3S2 MolecularWeight: 477.9875

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=NO3)C4=CC=CC=C4Cl

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=NO3)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H20ClN5O3S2/c1-2-3-10-26-17-9-8-13(31(22,27)28)11-16(17)23-20(26)30-12-18-24-19(25-29-18)14-6-4-5-7-15(14)21/h4-9,11H,2-3,10,12H2,1H3,(H2,22,27,28)