Ketcher 03142409342D 1   1.00000     0.00000     0

 27 28  0     0  0            999 V2000
   12.0473   -7.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1813   -8.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0473   -6.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3153   -7.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1813   -6.2138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3153   -6.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9133   -6.2137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7794   -6.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1813   -9.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3153   -9.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4493   -6.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4493   -5.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5832   -6.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5832   -7.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7172   -6.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7172   -8.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8512   -6.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8511   -7.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7172   -5.2138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5832   -4.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8511   -4.7138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8511   -3.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7172   -3.2138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9851   -3.2138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9852   -6.2137    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3511   -5.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8512   -4.7138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  2  4  2  0     0  0
  3  5  1  0     0  0
  4  6  1  0     0  0
  5  6  2  0     0  0
  3  7  1  0     0  0
  7  8  1  0     0  0
  2  9  1  0     0  0
  9 10  1  0     0  0
  6 11  1  0     0  0
 11 12  2  0     0  0
 11 13  1  0     0  0
 13 14  1  0     0  0
 13 15  2  0     0  0
 14 16  2  0     0  0
 15 17  1  0     0  0
 16 18  1  0     0  0
 17 18  2  0     0  0
 15 19  1  0     0  0
 19 20  1  0     0  0
 19 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 22 24  1  0     0  0
 17 25  1  0     0  0
 21 26  2  0     0  0
 21 27  2  0     0  0
M  END
> <ID>
CHEBI:229766

> <NAME>
triafamone

> <DEFINITION>
A methoxy-1,3,5-triazine that is 1,3,5-triazine substituted by 2-{[(difluoromethyl)sulfonyl](methyl)amino}-3-fluorobenzoyl, methoxy and methoxy groups at positions 2, 4, and 6, respectively. It is a herbicide developed by Bayer CropScience AG for weed control in rice and its mode of action is inhibition of the enzyme acetolactate synthase.

> <STAR>
3

> <SYNONYM>
N-{2-[4,6-dimethoxy(1,3,5-triazine-2-carbonyl)]-6-fluorophenyl}-1,1-difluoro-N-methylmethanesulfonamide; BCS-BX60309; AE 1887198; 2'-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbonyl]-1,1,6'-trifluoro-N-methylmethanesulfonanilide; N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbonyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide

> <IUPAC_NAME>
N-{2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbonyl]-6-fluorophenyl}-1,1-difluoro-N-methylmethanesulfonamide

> <FORMULA>
C14H13F3N4O5S

> <MASS>
406.340

> <MONOISOTOPIC_MASS>
406.05588

> <CHARGE>
0

> <SMILES>
COC1=NC(=NC(OC)=N1)C(=O)C1=C(N(C)S(=O)(=O)C(F)F)C(F)=CC=C1

> <INCHI>
InChI=1S/C14H13F3N4O5S/c1-21(27(23,24)12(16)17)9-7(5-4-6-8(9)15)10(22)11-18-13(25-2)20-14(19-11)26-3/h4-6,12H,1-3H3

> <INCHIKEY>
GBHVIWKSEHWFDD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
874195-61-6

> <PESTICIDES_ACCESSION>
triafamone

> <AGRICOLA_CITATION>
IND607122264

> <PUBMED_CITATION>
28649038; 32120175

$$$$