EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:121295 - 3-(2-ethylhexyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-4-thiazolidinone

ChEBI IDCHEBI:121295
ChEBI Name3-(2-ethylhexyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-4-thiazolidinone
Stars
DownloadsMolfile
FormulaC21H25N3OS2
Net Charge0
Average Mass399.585
Monoisotopic Mass399.14390
SMILESCCCCC(CC)CN1C(=O)C(=Cc2cnnc2-c2ccccc2)SC1=S
InChIInChI=1S/C21H25N3OS2/c1-3-5-9-15(4-2)14-24-20(25)18(27-21(24)26)12-17-13-22-23-19(17)16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3,(H,22,23)
InChIKeyYJSQRVMSMGLJJR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(2-ethylhexyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-4-thiazolidinone (CHEBI:121295) is a pyrazoles (CHEBI:26410)
3-(2-ethylhexyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-4-thiazolidinone (CHEBI:121295) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-32738LINCS