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

Systemtic Name: 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 1-propyl-2-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 1-propyl-2-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methylthio]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=NOC(=N3)C4=CC=C(C=C4)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NOC(=N3)C4=CC=C(C=C4)C

InChI

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