EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:92706 - 1-(3,4-dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone

ChEBI IDCHEBI:92706
ChEBI Name1-(3,4-dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
Stars
DownloadsMolfile
FormulaC20H19N3O4S
Net Charge0
Average Mass397.456
Monoisotopic Mass397.10963
SMILESC=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccc(OC)c1
InChIInChI=1S/C20H19N3O4S/c1-3-9-23-19(14-5-4-6-15(10-14)27-2)21-22-20(23)28-12-18(26)13-7-8-16(24)17(25)11-13/h3-8,10-11,24-25H,1,9,12H2,2H3
InChIKeySLHDNIDGJASXKC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(3,4-dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone (CHEBI:92706) is a aromatic ketone (CHEBI:76224)
Manual XrefsDatabases
LSM-2890LINCS