Mrv0541 02121514512D          

 18 19  0  0  0  0            999 V2000
   15.1709   -7.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8853   -8.1432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1709   -9.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4564   -8.1432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8853   -8.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4564   -8.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1728   -6.9024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7419   -7.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7217   -8.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9412   -8.9637    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1342   -9.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0274   -8.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7987   -9.8889    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.5998   -7.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1867   -6.0775    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.9081   -5.6771    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.4793   -5.6530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2738   -7.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  2  0  0  0  0
  2  1  1  0  0  0  0
 14  2  1  0  0  0  0
  1  4  1  0  0  0  0
  8  4  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  4  6  1  0  0  0  0
 15  7  1  0  0  0  0
 12  8  1  0  0  0  0
 11  9  2  0  0  0  0
 18  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 12 18  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
M  CHG  2  15   1  16  -1
M  END
> <ID>
CHEBI:39185

> <NAME>
thiamethoxam

> <DEFINITION>
An oxadiazane that is tetrahydro-N-nitro-4H-1,3,5-oxadiazin-4-imine bearing (2-chloro-1,3-thiazol-5-yl)methyl and methyl substituents at positions 3 and 5 respectively.

> <STAR>
3

> <SYNONYM>
TMX; Thiamethoxam; 3-((2-chloro-5-thiazolyl)methyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine

> <IUPAC_NAME>
3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine

> <FORMULA>
C8H10ClN5O3S

> <MASS>
291.71500

> <MONOISOTOPIC_MASS>
291.01929

> <CHARGE>
0

> <SMILES>
CN1COCN(Cc2cnc(Cl)s2)C1=N[N+]([O-])=O

> <INCHI>
InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3

> <INCHIKEY>
NWWZPOKUUAIXIW-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
8555232

> <CAS_REGISTRY_NUMBER>
153719-23-4

> <REAXYS_REGISTRY_NUMBER>
8555232

> <CHEMIDPLUS>
153719-23-4

> <KEGG_COMPOUND_ACCESSION>
C18513

> <PESTICIDES_ACCESSION>
thiamethoxam

> <WIKIPEDIA_ACCESSION>
Thiamethoxam

> <PUBMED_CITATION>
11695183; 12075996; 15716476; 15716477; 16652252; 19459179; 19481804; 21681919; 21713483; 21870159; 22065124; 22404231; 22461498; 22489844; 24700817; 25132224; 25348589; 25528611; 25529677; 25626153; 25655818; 25710849; 25825679; 25884469

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