EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:116561 - 6-(2-phenylethyl)-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

ChEBI IDCHEBI:116561
ChEBI Name6-(2-phenylethyl)-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Stars
Last Modified1 June 2018
DownloadsMolfile
FormulaC18H16N4S
Net Charge0
Average Mass320.421
Monoisotopic Mass320.10957
SMILESc1ccc(CCc2nn3c(Cc4ccccc4)nnc3s2)cc1
InChIInChI=1S/C18H16N4S/c1-3-7-14(8-4-1)11-12-17-21-22-16(19-20-18(22)23-17)13-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyVOOQGWNIYDJKLT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-(2-phenylethyl)-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CHEBI:116561) is a benzenes (CHEBI:22712)
6-(2-phenylethyl)-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CHEBI:116561) is a triazolothiadiazole (CHEBI:140920)
Manual XrefsDatabases
LSM-28016LINCS