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

Systemtic Name: 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C19H18FN5O3S2 MolecularWeight: 447.506323

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN5O3S2/c1-2-9-25-16-8-7-14(30(21,26)27)10-15(16)22-19(25)29-11-17-23-18(24-28-17)12-3-5-13(20)6-4-12/h3-8,10H,2,9,11H2,1H3,(H2,21,26,27)