Analyte Name

rac Toltrazuril-d3 Sulfoxide

CAS Number

1346603-43-7

Molecular Formula

C18H11D3F3O5S

Molecular Weight

444.4

Accurate Mass

444.08

SMILES

[2H]C([2H])([2H])N1C(=O)NC(=O)N(C1=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)S(=O)C(F)(F)F)C

InChI

InChI=1S/C18H14F3N3O5S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)29-12-4-6-13(7-5-12)30(28)18(19,20)21/h3-9H,1-2H3,(H,22,25,26)/i2D3

IUPAC

1-(Methyl-d3)-3-(3-methyl-4-(4-((trifluoromethyl)sulfinyl)phenoxy)phenyl)-1,3,5-triazinane-2,4,6-trione

Unlabelled CAS Number

69004-15-5

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Neat