EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:111216 - 2-(1H-benzimidazol-2-yl)-3-oxo-4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]butanenitrile

ChEBI IDCHEBI:111216
ChEBI Name2-(1H-benzimidazol-2-yl)-3-oxo-4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]butanenitrile
Stars
DownloadsMolfile
FormulaC16H16N6O2S
Net Charge0
Average Mass356.411
Monoisotopic Mass356.10554
SMILESCCCn1c(SCC(=O)C(C#N)c2nc3ccccc3n2)nnc1=O
InChIInChI=1S/C16H16N6O2S/c1-2-7-22-15(24)20-21-16(22)25-9-13(23)10(8-17)14-18-11-5-3-4-6-12(11)19-14/h3-6,10H,2,7,9H2,1H3,(H,18,19)(H,20,24)
InChIKeyOKYCUCTZZXQGFP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(1H-benzimidazol-2-yl)-3-oxo-4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]butanenitrile (CHEBI:111216) is a benzimidazoles (CHEBI:22715)
Manual XrefsDatabases
LSM-22672LINCS