EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:106042 - 3-ethyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

ChEBI IDCHEBI:106042
ChEBI Name3-ethyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Stars
DownloadsMolfile
FormulaC12H11N5O2S
Net Charge0
Average Mass289.320
Monoisotopic Mass289.06335
SMILESCCc1nnc2n1N=C(c1ccc([N+](=O)[O-])cc1)CS2
InChIInChI=1S/C12H11N5O2S/c1-2-11-13-14-12-16(11)15-10(7-20-12)8-3-5-9(6-4-8)17(18)19/h3-6H,2,7H2,1H3
InChIKeyITADYLNLPMLBPQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-ethyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CHEBI:106042) is a C-nitro compound (CHEBI:35716)
Manual XrefsDatabases
LSM-17403LINCS