EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:116714 - 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one

ChEBI IDCHEBI:116714
ChEBI Name3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one
Stars
DownloadsMolfile
FormulaC13H11N5OS
Net Charge0
Average Mass285.332
Monoisotopic Mass285.06843
SMILESCc1ccccc1-n1c(-c2ccc(=O)nn2)nnc1=S
InChIInChI=1S/C13H11N5OS/c1-8-4-2-3-5-10(8)18-12(16-17-13(18)20)9-6-7-11(19)15-14-9/h2-7H,1H3,(H,15,19)(H,17,20)
InChIKeyPVZLLBHIXDSOIG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one (CHEBI:116714) is a triazoles (CHEBI:35727)
Manual XrefsDatabases
LSM-28167LINCS