EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:94015 - 3-[6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophen-1-yl]-N-phenyl-1-pyrazolecarboxamide

ChEBI IDCHEBI:94015
ChEBI Name3-[6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophen-1-yl]-N-phenyl-1-pyrazolecarboxamide
Stars
DownloadsMolfile
FormulaC21H21N3O2S2
Net Charge0
Average Mass411.552
Monoisotopic Mass411.10752
SMILESCSc1sc(-c2ccn(C(=O)Nc3ccccc3)n2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C21H21N3O2S2/c1-21(2)11-14-17(16(25)12-21)19(27-3)28-18(14)15-9-10-24(23-15)20(26)22-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,22,26)
InChIKeyLITOCZGWAIHTLM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophen-1-yl]-N-phenyl-1-pyrazolecarboxamide (CHEBI:94015) is a pyrazoles (CHEBI:26410)
3-[6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophen-1-yl]-N-phenyl-1-pyrazolecarboxamide (CHEBI:94015) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-4604LINCS