4-​[3-​[4-​Cyano-​3-​(trifluoromethyl)​phenyl]​-​5,​5-​dimethyl-​4-​oxo-​2-​thioxo-​1-​imidazolidinyl]​-​2-​fluorobenzamide-d6

Analyte Name

4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluorobenzamide-d6

Molecular Formula

C20 D6 H8 F4 N4 O2 S

Molecular Weight

456.446

Accurate Mass

456.115

SMILES

[2H]C([2H])([2H])C1(N(C(=S)N(C1=O)c2ccc(C#N)c(c2)C(F)(F)F)c3ccc(C(=O)N)c(F)c3)C([2H])([2H])[2H]

InChI

InChI=1S/C20H14F4N4O2S/c1-19(2)17(30)27(11-4-3-10(9-25)14(7-11)20(22,23)24)18(31)28(19)12-5-6-13(16(26)29)15(21)8-12/h3-8H,1-2H3,(H2,26,29)/i1D3,2D3

IUPAC

4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-5,5-bis(trideuteriomethyl)imidazolidin-1-yl]-2-fluorobenzamide

Unlabelled CAS Number

1242137-16-1

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)