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

Systemtic Name: 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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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=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4S2/c1-3-9-25-17-8-7-15(31(21,26)27)11-16(17)22-20(25)30-12-18-23-19(24-29-18)13-5-4-6-14(10-13)28-2/h4-8,10-11H,3,9,12H2,1-2H3,(H2,21,26,27)