2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(4-cyano-2-fluoro-phenyl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(4-cyano-2-fluorophenyl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-cyano-2-fluorophenyl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(4-cyano-2-fluoro-benzyl)thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C18H17FN4O2S2 MolecularWeight: 404.481583

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C18H17FN4O2S2/c1-2-7-23-17-6-5-14(27(21,24)25)9-16(17)22-18(23)26-11-13-4-3-12(10-20)8-15(13)19/h3-6,8-9H,2,7,11H2,1H3,(H2,21,24,25)