4-{[5-(trifluoromethyl)-2-pyridyl]oxy}benzene-1-carbothioamide (CHEBI:228734)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	4-{[5-(trifluoromethyl)-2-pyridyl]oxy}benzene-1-carbothioamide

ChEBI ID	CHEBI:228734

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H9F3N2OS

Net Charge

Average Mass

298.280

Monoisotopic Mass

298.03877

InChI

InChI=1S/C13H9F3N2OS/c14-13(15,16)9-3-6-11(18-7-9)19-10-4-1-8(2-5-10)12(17)20/h1-7H,(H2,17,20)

InChIKey

FGJWEIQVLMFFOC-UHFFFAOYSA-N

SMILES

S=C(N)C1=CC=C(OC2=NC=C(C=C2)C(F)(F)F)C=C1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	4-{[5-(trifluoromethyl)-2-pyridyl]oxy}benzene-1-carbothioamide (CHEBI:228734) is a aromatic ether (CHEBI:35618)

IUPAC Name

4-[5-(triluoromethyl)pyridin-2-yl]oxybenzenecarbothioamide