EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:105113 - 1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone

ChEBI IDCHEBI:105113
ChEBI Name1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone
Stars
DownloadsMolfile
FormulaC24H28N4O2S
Net Charge0
Average Mass436.581
Monoisotopic Mass436.19330
SMILESC=CCn1c(SCC(=O)c2cc(C)n(CC3CCCO3)c2C)nnc1-c1ccccc1
InChIInChI=1S/C24H28N4O2S/c1-4-12-27-23(19-9-6-5-7-10-19)25-26-24(27)31-16-22(29)21-14-17(2)28(18(21)3)15-20-11-8-13-30-20/h4-7,9-10,14,20H,1,8,11-13,15-16H2,2-3H3
InChIKeyMNGCLRPBCYSDKT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone (CHEBI:105113) is a triazoles (CHEBI:35727)
Manual XrefsDatabases
LSM-16476LINCS