2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
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2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
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CAS No:
745036-75-3
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Formula:
C20H18N4O3S3
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Chemical Name:
2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
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Synonyms:
MLS000565888;SMR000152983;2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone;2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone;MLS002635213;CHEMBL1526624;SCHEMBL13856646;BDBM39759;cid_2102207;CHEBI:108554;HMS1722M13;HMS2471M09;ZINC2639234;AKOS000894270;MCULE-9137393224;CID 2102207;MLS-0107074.0001;Q27187478;Z20255081;2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,4-dihydroxyphenyl)ethan-1-one;2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3,4-bis(oxidanyl)phenyl]ethanone;745036-75-3
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CAS No:
Description
2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone is an aromatic ketone.
2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone Basic Attributes
458.6 g/mol
458.05410397 g/mol
Computed Properties
Molecular Weight:458.6
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:458.05410397
Monoisotopic Mass:458.05410397
Topological Polar Surface Area:180
Heavy Atom Count:30
Complexity:590
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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