2-(4-chlorophenyl)-4-(methylthio)-6-(4-pyridyl)pyridine (CHEBI:228582)

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CHEBI:228582 - 2-(4-chlorophenyl)-4-(methylthio)-6-(4-pyridyl)pyridine

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ChEBI ID	CHEBI:228582
ChEBI Name	2-(4-chlorophenyl)-4-(methylthio)-6-(4-pyridyl)pyridine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H13ClN2S
Net Charge	0
Average Mass	312.825
Monoisotopic Mass	312.04880
SMILES	CSc1cc(-c2ccncc2)nc(-c2ccc(Cl)cc2)c1
InChI	InChI=1S/C17H13ClN2S/c1-21-15-10-16(12-2-4-14(18)5-3-12)20-17(11-15)13-6-8-19-9-7-13/h2-11H,1H3
InChIKey	PLQJFNMUCXTPKU-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	urine (BTO:0001419)	MetaboLights (MTBLS8662)

ChEBI Ontology

Outgoing Relation(s)
	2-(4-chlorophenyl)-4-(methylthio)-6-(4-pyridyl)pyridine (CHEBI:228582) is a bipyridines (CHEBI:50511)

IUPAC Name
2-(4-chlorophenyl)-4-methylsulanyl-6-pyridin-4-ylpyridine

Manual Xrefs	Databases
2085881	ChemSpider