EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123328 - 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione

ChEBI IDCHEBI:123328
ChEBI Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Stars
DownloadsMolfile
FormulaC18H17N3O4S
Net Charge0
Average Mass371.418
Monoisotopic Mass371.09398
SMILESCOc1ccc(-c2nnc(=S)n2-c2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C18H17N3O4S/c1-22-13-5-3-11(9-15(13)23-2)17-19-20-18(26)21(17)12-4-6-14-16(10-12)25-8-7-24-14/h3-6,9-10H,7-8H2,1-2H3,(H,20,26)
InChIKeyBKKSNCRYGVQVQL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione (CHEBI:123328) is a triazoles (CHEBI:35727)
Manual XrefsDatabases
LSM-34771LINCS