S-[[2,3,5,6-tetrakis(fluoranyl)-4-(hydroxymethyl)phenyl]methyl] 2-(2-tert-butylpyrimidin-5-yl)-3,3-dimethyl-butanethioate

Systemtic Name: S-[[2,3,5,6-tetrakis(fluoranyl)-4-(hydroxymethyl)phenyl]methyl] 2-(2-tert-butylpyrimidin-5-yl)-3,3-dimethyl-butanethioate Openeye Name: S-[[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methyl] 2-(2-tert-butylpyrimidin-5-yl)-3,3-dimethyl-butanethioate CAS Name: 2-(2-tert-butyl-5-pyrimidinyl)-3,3-dimethylbutanethioic acid S-[[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methyl] ester IUPAC Name: S-[[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methyl] 2-(2-tert-butylpyrimidin-5-yl)-3,3-dimethylbutanethioate Traditional Name: 2-(2-tert-butylpyrimidin-5-yl)-3,3-dimethyl-butanethioic acid S-(2,3,5,6-tetrafluoro-4-methylol-benzyl) ester Formula: C22H26F4N2O2S MolecularWeight: 458.512653

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC=C(C=N1)C(C(=O)SCC2=C(C(=C(C(=C2F)F)CO)F)F)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=NC=C(C=N1)C(C(=O)SCC2=C(C(=C(C(=C2F)F)CO)F)F)C(C)(C)C

InChI

InChI=1S/C22H26F4N2O2S/c1-21(2,3)14(11-7-27-20(28-8-11)22(4,5)6)19(30)31-10-13-17(25)15(23)12(9-29)16(24)18(13)26/h7-8,14,29H,9-10H2,1-6H3