EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:108460 - 4-[[[4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile

ChEBI IDCHEBI:108460
ChEBI Name4-[[[4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile
Stars
DownloadsMolfile
FormulaC22H18N4O2S
Net Charge0
Average Mass402.479
Monoisotopic Mass402.11505
SMILESCOc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)c1
InChIInChI=1S/C22H18N4O2S/c1-27-19-5-2-4-18(12-19)21-24-25-22(26(21)14-20-6-3-11-28-20)29-15-17-9-7-16(13-23)8-10-17/h2-12H,14-15H2,1H3
InChIKeyQWKVQVYOJYHALP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[[4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile (CHEBI:108460) is a triazoles (CHEBI:35727)
Manual XrefsDatabases
LSM-19836LINCS