1-(1-adamantyl)-2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(1-adamantyl)-2-[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]ethanone Formula: C27H27F3N2OS MolecularWeight: 484.57629

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=C(N4CC6=CC=CC=C6)C=CC(=C5)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=C(N4CC6=CC=CC=C6)C=CC(=C5)C(F)(F)F

InChI

InChI=1S/C27H27F3N2OS/c28-27(29,30)21-6-7-23-22(11-21)31-25(32(23)15-17-4-2-1-3-5-17)34-16-24(33)26-12-18-8-19(13-26)10-20(9-18)14-26/h1-7,11,18-20H,8-10,12-16H2