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CHEBI:131328 - (4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone

ChEBI IDCHEBI:131328
ChEBI Name(4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone
Stars
ASCII Name(4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone
DefinitionA triazolobenzothiazole that is [1,2,4]triazolo[5,1-b][1,3]benzothiazole substituted at positions 1 and 2 by 4-methylbenzoyl and thioxo groups respectively.
Last Modified27 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC16H11N3OS2
Net Charge0
Average Mass325.418
Monoisotopic Mass325.03435
SMILESCc1ccc(C(=O)n2c(=S)nc3sc4ccccc4n32)cc1
InChIInChI=1S/C16H11N3OS2/c1-10-6-8-11(9-7-10)14(20)19-15(21)17-16-18(19)12-4-2-3-5-13(12)22-16/h2-9H,1H3
InChIKeyBYHHYJWGZWUAIG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone (CHEBI:131328) is a thiocarbonyl compound (CHEBI:50492)
(4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone (CHEBI:131328) is a triazolobenzothiazole (CHEBI:48908)
IUPAC Name 
(4-methylphenyl)(2-sulfanylidene[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1(2H)-yl)methanone