3-[[3-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
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![3-[[3-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a503069183774448a847108b3e568e58.png "3-[[3-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one")
3-[[3-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
structure -
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CAS No:
326614-82-8
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Formula:
C18H13N9O2S2
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Chemical Name:
3-[[3-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
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Synonyms:
Oprea1_279455;ZINC3179207;AKOS034453792;MCULE-2917002698;Z56781328;3-{[(5-{[(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3,4-dihydro-1,2,3-benzotriazin-4-one;326614-82-8
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CAS No:
3-[[3-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Basic Attributes
451.5 g/mol
451.06336304 g/mol
Computed Properties
Molecular Weight:451.5
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:451.06336304
Monoisotopic Mass:451.06336304
Topological Polar Surface Area:182
Heavy Atom Count:31
Complexity:754
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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