EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:117201 - 4-(2-chlorophenyl)-3-(5-methyl-3-phenyl-4-isoxazolyl)-1H-1,2,4-triazole-5-thione

ChEBI IDCHEBI:117201
ChEBI Name4-(2-chlorophenyl)-3-(5-methyl-3-phenyl-4-isoxazolyl)-1H-1,2,4-triazole-5-thione
Stars
DownloadsMolfile
FormulaC18H13ClN4OS
Net Charge0
Average Mass368.849
Monoisotopic Mass368.04986
SMILESCc1onc(-c2ccccc2)c1-c1nnc(=S)n1-c1ccccc1Cl
InChIInChI=1S/C18H13ClN4OS/c1-11-15(16(22-24-11)12-7-3-2-4-8-12)17-20-21-18(25)23(17)14-10-6-5-9-13(14)19/h2-10H,1H3,(H,21,25)
InChIKeyAVIUBFYZEGCWIQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(2-chlorophenyl)-3-(5-methyl-3-phenyl-4-isoxazolyl)-1H-1,2,4-triazole-5-thione (CHEBI:117201) is a triazoles (CHEBI:35727)
Manual XrefsDatabases
LSM-28650LINCS