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

Systemtic Name: 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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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=C4C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=NO3)C4=CC=CC=C4C

InChI

InChI=1S/C20H21N5O3S2/c1-3-10-25-17-9-8-14(30(21,26)27)11-16(17)22-20(25)29-12-18-23-19(24-28-18)15-7-5-4-6-13(15)2/h4-9,11H,3,10,12H2,1-2H3,(H2,21,26,27)