2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-(2-methylpropyl)benzimidazole

Systemtic Name: 2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-(2-methylpropyl)benzimidazole Openeye Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-isobutyl-benzimidazole CAS Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1-(2-methylpropyl)benzimidazole IUPAC Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-(2-methylpropyl)benzimidazole Traditional Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1-isobutyl-benzimidazole Formula: C26H25FN2O2S MolecularWeight: 448.552303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)F)CO[C@@H](O4)C5=CC=CC=C5

InChI

InChI=1S/C26H25FN2O2S/c1-17(2)14-29-23-11-7-6-10-22(23)28-26(29)32-16-20-13-21(27)12-19-15-30-25(31-24(19)20)18-8-4-3-5-9-18/h3-13,17,25H,14-16H2,1-2H3/t25-/m0/s1