EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:114858 - 1-(3,4-dichlorophenyl)-2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone

ChEBI IDCHEBI:114858
ChEBI Name1-(3,4-dichlorophenyl)-2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone
Stars
DownloadsMolfile
FormulaC20H14Cl2N4O2S
Net Charge0
Average Mass445.331
Monoisotopic Mass444.02145
SMILESO=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H14Cl2N4O2S/c21-16-6-5-13(9-17(16)22)18(27)12-29-20-25-24-19(14-3-1-7-23-10-14)26(20)11-15-4-2-8-28-15/h1-10H,11-12H2
InChIKeyLKMSMQNVNZLANE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(3,4-dichlorophenyl)-2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone (CHEBI:114858) is a aromatic ketone (CHEBI:76224)
Manual XrefsDatabases
LSM-26320LINCS