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

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ChEBI Name	3-(4-methyl-1,2,3-thiadiazolyl)-6-trichloromethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadizole

ChEBI ID	CHEBI:143904

ChEBI ASCII Name	3-(4-methyl-1,2,3-thiadiazolyl)-6-trichloromethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadizole

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Rob Nash

Supplier Information

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Formula

C7H5Cl3N6S2

Net Charge

Average Mass

343.630

Monoisotopic Mass

341.90827

InChI

InChI=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

InChIKey

AJJFYSYXUHCPMZ-UHFFFAOYSA-N

SMILES

N1C2SC(=NN2C(=N1)C=3SN=NC3C)C(Cl)(Cl)Cl

Roles Classification
Biological Role(s):	fungicide A substance used to destroy fungal pests. 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).

Application(s):	fungicide A substance used to destroy fungal pests.

ChEBI Ontology
Outgoing	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	Sources
3-(4-methyl-1,2,3-thiadiazolyl)-6-trichloromethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole	ChEBI
YZK-C22	SUBMITTER

Last Modified

19 June 2019