1-[3-(4-methoxyphenyl)-3-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanethione

Systemtic Name: 1-[3-(4-methoxyphenyl)-3-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanethione Openeye Name: 1-[3-(4-methoxyphenyl)-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethanethione CAS Name: 1-[3-(4-methoxyphenyl)-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethanethione IUPAC Name: 1-[3-(4-methoxyphenyl)-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethanethione Traditional Name: 1-[3-(4-methoxyphenyl)-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]ethanethione Formula: C22H20F5NO2S MolecularWeight: 457.456716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)N1C2CCC1CC(C2)(C3=CC=C(C=C3)OC)OC4=C(C(=C(C(=C4F)F)F)F)F

Isomeric SMILES

CC(=S)N1C2CCC1CC(C2)(C3=CC=C(C=C3)OC)OC4=C(C(=C(C(=C4F)F)F)F)F

InChI

InChI=1S/C22H20F5NO2S/c1-11(31)28-13-5-6-14(28)10-22(9-13,12-3-7-15(29-2)8-4-12)30-21-19(26)17(24)16(23)18(25)20(21)27/h3-4,7-8,13-14H,5-6,9-10H2,1-2H3