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2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethylphenyl)ethanone
2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethylphenyl)ethanone
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![2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethylphenyl)ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ff5af55285ce4472aa529295a713b5ec.png "2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethylphenyl)ethanone")
2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethylphenyl)ethanone
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CAS No:
771515-47-0
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Formula:
C20H20ClN3O2S
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Chemical Name:
2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethylphenyl)ethanone
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Synonyms:
ZINC6063256;AKOS033795614;MCULE-3767519553;Z21977932;2-({5-[(4-chloro-3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,5-dimethylphenyl)ethan-1-one;771515-47-0
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CAS No:
2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethylphenyl)ethanone Basic Attributes
401.9 g/mol
401.0964758 g/mol
Computed Properties
Molecular Weight:401.9
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:401.0964758
Monoisotopic Mass:401.0964758
Topological Polar Surface Area:93.2
Heavy Atom Count:27
Complexity:498
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethylphenyl)ethanone
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