EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:112808 - 4-[[5-(difluoromethylthio)-4-methyl-1,2,4-triazol-3-yl]methoxy]-5-methylisoquinoline

ChEBI IDCHEBI:112808
ChEBI Name4-[[5-(difluoromethylthio)-4-methyl-1,2,4-triazol-3-yl]methoxy]-5-methylisoquinoline
Stars
DownloadsMolfile
FormulaC15H14F2N4OS
Net Charge0
Average Mass336.367
Monoisotopic Mass336.08564
SMILESCc1cccc2cncc(OCc3nnc(SC(F)F)n3C)c12
InChIInChI=1S/C15H14F2N4OS/c1-9-4-3-5-10-6-18-7-11(13(9)10)22-8-12-19-20-15(21(12)2)23-14(16)17/h3-7,14H,8H2,1-2H3
InChIKeyLTTNTPOYRNRKKM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[5-(difluoromethylthio)-4-methyl-1,2,4-triazol-3-yl]methoxy]-5-methylisoquinoline (CHEBI:112808) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-24218LINCS