EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:93996 - 2-(4-chlorophenoxy)-N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]acetamide

ChEBI IDCHEBI:93996
ChEBI Name2-(4-chlorophenoxy)-N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]acetamide
Stars
DownloadsMolfile
FormulaC17H14Cl2N4O2S
Net Charge0
Average Mass409.298
Monoisotopic Mass408.02145
SMILESO=C(COc1ccc(Cl)cc1)NCc1nnc(=S)n1-c1cccc(Cl)c1
InChIInChI=1S/C17H14Cl2N4O2S/c18-11-4-6-14(7-5-11)25-10-16(24)20-9-15-21-22-17(26)23(15)13-3-1-2-12(19)8-13/h1-8H,9-10H2,(H,20,24)(H,22,26)
InChIKeyRSTJVYHCBUUBTE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(4-chlorophenoxy)-N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]acetamide (CHEBI:93996) is a triazoles (CHEBI:35727)
Manual XrefsDatabases
LSM-4581LINCS