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2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
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![2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f333c28299c0441b8a3c51173bc7e3db.png "2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone")
2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
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CAS No:
763100-52-3
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Formula:
C17H17BrN4OS
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Chemical Name:
2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
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Synonyms:
ZINC6060457;AKOS033942316;MCULE-4637185227;AB00726210-01;Z25465339;2-{[5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one;763100-52-3
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CAS No:
2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Basic Attributes
405.3 g/mol
404.03064 g/mol
Computed Properties
Molecular Weight:405.3
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:404.03064
Monoisotopic Mass:404.03064
Topological Polar Surface Area:88.9
Heavy Atom Count:24
Complexity:446
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
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