5-[(4-methylphenoxy)methyl]-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazole
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![5-[(4-methylphenoxy)methyl]-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazole structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4499ba4136a54ccdaef77d00ac7b4d40.png "5-[(4-methylphenoxy)methyl]-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazole")
5-[(4-methylphenoxy)methyl]-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazole
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CAS No:
756827-96-0
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Formula:
C19H18N4O5S
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Chemical Name:
5-[(4-methylphenoxy)methyl]-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazole
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Synonyms:
ZINC2661995;AKOS033940369;MCULE-9033312358;SR-01000054360;SR-01000054360-1;Z25386230;3-[(4-methylphenoxy)methyl]-5-{[(6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-4H-1,2,4-triazole;756827-96-0
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CAS No:
5-[(4-methylphenoxy)methyl]-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-1,2,4-triazole Basic Attributes
414.4 g/mol
414.09979086 g/mol
Computed Properties
Molecular Weight:414.4
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:414.09979086
Monoisotopic Mass:414.09979086
Topological Polar Surface Area:140
Heavy Atom Count:29
Complexity:545
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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