Mrv0541 10131413372D          

 12 12  0  0  0  0            999 V2000
   11.9564  -13.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7014  -14.0091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3689  -14.4940    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0363  -14.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7814  -13.2245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4714  -12.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6510  -12.6433    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.8070  -11.8034    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.8209  -14.2641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4341  -13.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2187  -13.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9847  -11.8901    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
> <ID>
CHEBI:81761

> <NAME>
etridiazole

> <DEFINITION>
A member of the class of  thiadiazoles that is 1,2,4-thiadiazole which is substituted at positions 3 and 5 by trichloromethyl and ethoxy groups, respectively. A fungicide, it has been used particularly for the control of Phytophthora and Pythium species in soils.

> <STAR>
3

> <SYNONYM>
Terrazole; OM 2424; Olin mathieson 2,424; Echlomezole; 5-ethoxy-3-trichloromethyl-1,2,4-thiadiazole; 5-Aethoxy-3-trichlormethyl-1,2,4-thiadiazol

> <IUPAC_NAME>
5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole

> <BRAND_NAME>
Terracoat; Planvate; Pansoil; Banrot

> <FORMULA>
C5H5Cl3N2OS

> <MASS>
247.53000

> <MONOISOTOPIC_MASS>
245.91882

> <CHARGE>
0

> <SMILES>
CCOc1nc(ns1)C(Cl)(Cl)Cl

> <INCHI>
InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3

> <INCHIKEY>
KQTVWCSONPJJPE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2593-15-9

> <REAXYS_REGISTRY_NUMBER>
1074817

> <CHEMIDPLUS>
2593-15-9

> <KEGG_COMPOUND_ACCESSION>
C18460

> <NIST_CHEMISTRY_WEBBOOK>
2593-15-9

> <PESTICIDES_ACCESSION>
etridiazole

> <AGRICOLA_CITATION>
IND20397439; IND21980085; IND43651246; IND85059164; IND91054641; IND93025710

> <PUBMED_CITATION>
1747060; 19476968

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