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CHEBI:112440 - 2-(1-adamantyl)-5-(4-ethoxy-3-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one

ChEBI IDCHEBI:112440
ChEBI Name2-(1-adamantyl)-5-(4-ethoxy-3-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
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DownloadsMolfile
FormulaC24H29N3O3S
Net Charge0
Average Mass439.581
Monoisotopic Mass439.19296
SMILESCCOc1ccc(C2CC(=O)n3nc(C45CC6CC(CC(C6)C4)C5)nc3S2)cc1OC
InChIInChI=1S/C24H29N3O3S/c1-3-30-18-5-4-17(9-19(18)29-2)20-10-21(28)27-23(31-20)25-22(26-27)24-11-14-6-15(12-24)8-16(7-14)13-24/h4-5,9,14-16,20H,3,6-8,10-13H2,1-2H3
InChIKeyHXURILCBOQNDPH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(1-adamantyl)-5-(4-ethoxy-3-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one (CHEBI:112440) is a methoxybenzenes (CHEBI:51683)
Manual XrefsDatabases
LSM-23852LINCS