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

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ChEBI Name 2-(1-adamantyl)-5-(4-ethoxy-3-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
ChEBI ID CHEBI:112440
Stars This entity has been manually annotated by a third party.
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Formula C24H29N3O3S
Net Charge 0
Average Mass 439.572
Monoisotopic Mass 439.19296
InChI InChI=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
InChIKey HXURILCBOQNDPH-UHFFFAOYSA-N
SMILES CCOC1=C(C=C(C=C1)C2CC(=O)N3C(=NC(=N3)C45CC6CC(C4)CC(C6)C5)S2)OC
ChEBI Ontology
Outgoing 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 Xref Database
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