EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:94204 - 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester

ChEBI IDCHEBI:94204
ChEBI Name2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester
Stars
DownloadsMolfile
FormulaC18H17N5O4S
Net Charge0
Average Mass399.432
Monoisotopic Mass399.10013
SMILESCCOC(=O)CSC1=NC(=Cc2ccc(-n3cncn3)cc2)C(=O)N1C(C)=O
InChIInChI=1S/C18H17N5O4S/c1-3-27-16(25)9-28-18-21-15(17(26)23(18)12(2)24)8-13-4-6-14(7-5-13)22-11-19-10-20-22/h4-8,10-11H,3,9H2,1-2H3
InChIKeySTTFMIKZFVMWJL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester (CHEBI:94204) is a triazoles (CHEBI:35727)
Manual XrefsDatabases
LSM-4825LINCS