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CHEBI:123428 - 3-[[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid

ChEBI IDCHEBI:123428
ChEBI Name3-[[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid
Stars
DownloadsMolfile
FormulaC17H14N2O3S
Net Charge0
Average Mass326.377
Monoisotopic Mass326.07251
SMILESO=C(O)c1cccc(CSc2nnc(Cc3ccccc3)o2)c1
InChIInChI=1S/C17H14N2O3S/c20-16(21)14-8-4-7-13(9-14)11-23-17-19-18-15(22-17)10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)
InChIKeyMRFYYQYSTHLYGO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-[[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid (CHEBI:123428) is a benzoic acids (CHEBI:22723)
Manual XrefsDatabases
LSM-34870LINCS