3-phenyl-5-[3-(2-thienyl)-1H-pyrazol-1-yl]-1,2,4-thiadiazole (CHEBI:228649)

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CHEBI:228649 - 3-phenyl-5-[3-(2-thienyl)-1H-pyrazol-1-yl]-1,2,4-thiadiazole

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ChEBI ID	CHEBI:228649
ChEBI Name	3-phenyl-5-[3-(2-thienyl)-1H-pyrazol-1-yl]-1,2,4-thiadiazole
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H10N4S2
Net Charge	0
Average Mass	310.407
Monoisotopic Mass	310.03469
SMILES	c1ccc(-c2nsc(-n3ccc(-c4cccs4)n3)n2)cc1
InChI	InChI=1S/C15H10N4S2/c1-2-5-11(6-3-1)14-16-15(21-18-14)19-9-8-12(17-19)13-7-4-10-20-13/h1-10H
InChIKey	UZKFGROFGOQFOF-UHFFFAOYSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	3-phenyl-5-[3-(2-thienyl)-1H-pyrazol-1-yl]-1,2,4-thiadiazole (CHEBI:228649) is a benzenes (CHEBI:22712)

IUPAC Name
3-phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole

Manual Xrefs	Databases
2074890	ChemSpider