EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:105744 - 1-[4-ethoxy-3-[[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone

ChEBI IDCHEBI:105744
ChEBI Name1-[4-ethoxy-3-[[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone
Stars
DownloadsMolfile
FormulaC22H25N3O3S2
Net Charge0
Average Mass443.594
Monoisotopic Mass443.13373
SMILESCCOc1ccc(C(C)=O)cc1CSc1nnc(-c2cccs2)n1CC1CCCO1
InChIInChI=1S/C22H25N3O3S2/c1-3-27-19-9-8-16(15(2)26)12-17(19)14-30-22-24-23-21(20-7-5-11-29-20)25(22)13-18-6-4-10-28-18/h5,7-9,11-12,18H,3-4,6,10,13-14H2,1-2H3
InChIKeyXNHXVLSNARLKHW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[4-ethoxy-3-[[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone (CHEBI:105744) is a aromatic ketone (CHEBI:76224)
Manual XrefsDatabases
LSM-17106LINCS