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CHEBI:194268 - 2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid

Default Structure
ChEBI IDCHEBI:194268
ChEBI Name2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14N4O2S
Net Charge0
Average Mass326.381
Monoisotopic Mass326.08375
SMILESO=C(O)CSc1nnc(Nc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C16H14N4O2S/c21-14(22)11-23-16-19-18-15(17-12-7-3-1-4-8-12)20(16)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,18)(H,21,22)
InChIKeyXCJSJYYPXUCHEM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) peripheral blood mononuclear cell (BTO:0001025) MetaboLights (MTBLS6661)
ChEBI Ontology
Outgoing Relation(s)
2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid (CHEBI:194268) is a triazoles (CHEBI:35727)
IUPAC Name 
2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulanyl]acetic acid
Manual XrefsDatabases
652560ChemSpider