EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:121954 - 2-[4-(4-butylphenyl)-2-thiazolyl]-3-(5-methyl-2-furanyl)-2-propenenitrile

ChEBI IDCHEBI:121954
ChEBI Name2-[4-(4-butylphenyl)-2-thiazolyl]-3-(5-methyl-2-furanyl)-2-propenenitrile
Stars
DownloadsMolfile
FormulaC21H20N2OS
Net Charge0
Average Mass348.471
Monoisotopic Mass348.12963
SMILESCCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(C)o3)n2)cc1
InChIInChI=1S/C21H20N2OS/c1-3-4-5-16-7-9-17(10-8-16)20-14-25-21(23-20)18(13-22)12-19-11-6-15(2)24-19/h6-12,14H,3-5H2,1-2H3
InChIKeyNWVQDLPVWVSDPK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[4-(4-butylphenyl)-2-thiazolyl]-3-(5-methyl-2-furanyl)-2-propenenitrile (CHEBI:121954) is a thiazoles (CHEBI:48901)
Manual XrefsDatabases
LSM-33397LINCS