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CHEBI:143904 - 3-(4-methyl-1,2,3-thiadiazolyl)-6-trichloromethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadizole

ChEBI IDCHEBI:143904
ChEBI Name3-(4-methyl-1,2,3-thiadiazolyl)-6-trichloromethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadizole
Stars
ASCII Name3-(4-methyl-1,2,3-thiadiazolyl)-6-trichloromethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadizole
DefinitionA triazolothiadiazole that is 1,7a-dihydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole substituted by a 4-methyl-1,2,3-thiadiazol-5-yl group at position 3 and by a trichloromethyl group at position 6. It is a fungicide with a wide spectrum of activity and inhibits the enzymatic activity of pyruvate kinase.
Last Modified19 June 2019
Submitterrnash
DownloadsMolfile
FormulaC7H5Cl3N6S2
Net Charge0
Average Mass343.652
Monoisotopic Mass341.90827
SMILESCc1nnsc1C1=NNC2SC(C(Cl)(Cl)Cl)=NN12
InChIInChI=1S/C7H5Cl3N6S2/c1-2-3(18-15-11-2)4-12-13-6-16(4)14-5(17-6)7(8,9)10/h6,13H,1H3
InChIKeyAJJFYSYXUHCPMZ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
EC 2.7.1.40 (pyruvate kinase) inhibitor  An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of pyruvate kinase (EC 2.7.1.40).
fungicide  A substance used to destroy fungal pests.
Application:
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
3-(4-methyl-1,2,3-thiadiazolyl)-6-trichloromethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadizole (CHEBI:143904) has role EC 2.7.1.40 (pyruvate kinase) inhibitor (CHEBI:143909)
3-(4-methyl-1,2,3-thiadiazolyl)-6-trichloromethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadizole (CHEBI:143904) has role fungicide (CHEBI:24127)
3-(4-methyl-1,2,3-thiadiazolyl)-6-trichloromethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadizole (CHEBI:143904) is a organochlorine compound (CHEBI:36683)
3-(4-methyl-1,2,3-thiadiazolyl)-6-trichloromethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadizole (CHEBI:143904) is a thiadiazoles (CHEBI:38099)
3-(4-methyl-1,2,3-thiadiazolyl)-6-trichloromethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadizole (CHEBI:143904) is a triazolothiadiazole (CHEBI:140920)
IUPAC Name 
3-(4-methyl-1,2,3-thiadiazol-5-yl)-6-(trichloromethyl)-1,7a-dihydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Synonyms  Source
YZK-C22SUBMITTER
3-(4-methyl-1,2,3-thiadiazolyl)-6-trichloromethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleChEBI
Citations