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CHEBI:94282 - 1-(4-chlorophenyl)-6-[(4-methylphenyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

ChEBI IDCHEBI:94282
ChEBI Name1-(4-chlorophenyl)-6-[(4-methylphenyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
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DownloadsMolfile
FormulaC23H16ClN5O2S
Net Charge0
Average Mass461.934
Monoisotopic Mass461.07132
SMILESCc1ccc(Cc2nn3c(C(=O)c4cccs4)nn(-c4ccc(Cl)cc4)c3nc2=O)cc1
InChIInChI=1S/C23H16ClN5O2S/c1-14-4-6-15(7-5-14)13-18-22(31)25-23-28(17-10-8-16(24)9-11-17)27-21(29(23)26-18)20(30)19-3-2-12-32-19/h2-12H,13H2,1H3
InChIKeyYDXQNOXNHVRHQT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-chlorophenyl)-6-[(4-methylphenyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one (CHEBI:94282) is a triazoles (CHEBI:35727)
Manual XrefsDatabases
LSM-4909LINCS