1-adamantyl-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

Systemtic Name: 1-adamantyl-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Openeye Name: 1-adamantyl-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone CAS Name: 1-adamantyl-[2-[[3-(trifluoromethyl)phenyl]methylthio]-4,5-dihydroimidazol-1-yl]methanone IUPAC Name: 1-adamantyl-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Traditional Name: 1-adamantyl-[2-[[3-(trifluoromethyl)benzyl]thio]-2-imidazolin-1-yl]methanone Formula: C22H25F3N2OS MolecularWeight: 422.50691

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=N1)SCC2=CC(=CC=C2)C(F)(F)F)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(C(=N1)SCC2=CC(=CC=C2)C(F)(F)F)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H25F3N2OS/c23-22(24,25)18-3-1-2-14(9-18)13-29-20-26-4-5-27(20)19(28)21-10-15-6-16(11-21)8-17(7-15)12-21/h1-3,9,15-17H,4-8,10-13H2