EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:105711 - 4-[[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-3,5-dimethylisoxazole

ChEBI IDCHEBI:105711
ChEBI Name4-[[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-3,5-dimethylisoxazole
Stars
DownloadsMolfile
FormulaC19H20N4O3S
Net Charge0
Average Mass384.461
Monoisotopic Mass384.12561
SMILESC=CCn1c(SCc2c(C)noc2C)nnc1C1COc2ccccc2O1
InChIInChI=1S/C19H20N4O3S/c1-4-9-23-18(17-10-24-15-7-5-6-8-16(15)25-17)20-21-19(23)27-11-14-12(2)22-26-13(14)3/h4-8,17H,1,9-11H2,2-3H3
InChIKeyTYQNXYVZANKAGG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-3,5-dimethylisoxazole (CHEBI:105711) is a benzodioxine (CHEBI:64096)
Manual XrefsDatabases
LSM-17073LINCS