EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:122133 - 3-(2-ethylhexyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-4-thiazolidinone

Default Structure
ChEBI IDCHEBI:122133
ChEBI Name3-(2-ethylhexyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-4-thiazolidinone
Stars
DownloadsMolfile
FormulaC17H22N2OS2
Net Charge0
Average Mass334.510
Monoisotopic Mass334.11736
SMILESCCCCC(CC)CN1C(=O)C(=Cc2ccncc2)SC1=S
InChIInChI=1S/C17H22N2OS2/c1-3-5-6-13(4-2)12-19-16(20)15(22-17(19)21)11-14-7-9-18-10-8-14/h7-11,13H,3-6,12H2,1-2H3
InChIKeyDIGSBNOZLNNDAQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(2-ethylhexyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-4-thiazolidinone (CHEBI:122133) is a pyridines (CHEBI:26421)
Manual XrefsDatabases
LSM-33576LINCS