CHEBI:108554 - 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone

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ChEBI Name 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone
ChEBI ID CHEBI:108554
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H18N4O3S3
Net Charge 0
Average Mass 458.581
Monoisotopic Mass 458.05410
InChI InChI=1S/C20H18N4O3S3/c1-2-24-18(11-29-20-21-13-5-3-4-6-17(13)30-20)22-23-19(24)28-10-16(27)12-7-8-14(25)15(26)9-12/h3-9,25-26H,2,10-11H2,1H3
InChIKey APBXJKZUYAAVJS-UHFFFAOYSA-N
SMILES CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)O)O)CSC3=NC4=CC=CC=C4S3
ChEBI Ontology
Outgoing 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone (CHEBI:108554) is a aromatic ketone (CHEBI:76224)
Manual Xref Database
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