EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:111304 - 2-cyano-N-[5-[(4-methylphenyl)methyl]-2-thiazolyl]-3-[5-(4-nitrophenyl)-2-furanyl]-2-propenamide

ChEBI IDCHEBI:111304
ChEBI Name2-cyano-N-[5-[(4-methylphenyl)methyl]-2-thiazolyl]-3-[5-(4-nitrophenyl)-2-furanyl]-2-propenamide
Stars
DownloadsMolfile
FormulaC25H18N4O4S
Net Charge0
Average Mass470.510
Monoisotopic Mass470.10488
SMILESCc1ccc(Cc2cnc(NC(=O)C(C#N)=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)s2)cc1
InChIInChI=1S/C25H18N4O4S/c1-16-2-4-17(5-3-16)12-22-15-27-25(34-22)28-24(30)19(14-26)13-21-10-11-23(33-21)18-6-8-20(9-7-18)29(31)32/h2-11,13,15H,12H2,1H3,(H,27,28,30)
InChIKeyAHFUKBBKJQDPIW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-cyano-N-[5-[(4-methylphenyl)methyl]-2-thiazolyl]-3-[5-(4-nitrophenyl)-2-furanyl]-2-propenamide (CHEBI:111304) is a C-nitro compound (CHEBI:35716)
Manual XrefsDatabases
LSM-22760LINCS