CHEBI:123262 - 3-(1-benzotriazolylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

ChEBI IDCHEBI:123262
ChEBI Name3-(1-benzotriazolylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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Last Modified1 June 2018
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FormulaC16H11N7S
Net Charge0
Average Mass333.380
Monoisotopic Mass333.07966
SMILESc1ccc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1
InChIInChI=1S/C16H11N7S/c1-2-6-11(7-3-1)15-20-23-14(18-19-16(23)24-15)10-22-13-9-5-4-8-12(13)17-21-22/h1-9H,10H2
InChIKeyIFRYKBXNKQBFIE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(1-benzotriazolylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CHEBI:123262) is a benzotriazoles (CHEBI:48912)
3-(1-benzotriazolylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CHEBI:123262) is a triazolothiadiazole (CHEBI:140920)
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