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2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
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![2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d4ff6146f62c45c9a73e5dd443f2db8f.png "2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]ethanone")
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
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CAS No:
554440-27-6
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Formula:
C16H16BrN5OS
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Chemical Name:
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
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Synonyms:
ZINC6477124;AKOS033611210;MCULE-5027208785;AB00719965-01;Z18356077;2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one;554440-27-6
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CAS No:
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]ethanone Basic Attributes
406.3 g/mol
405.02589 g/mol
Computed Properties
Molecular Weight:406.3
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:405.02589
Monoisotopic Mass:405.02589
Topological Polar Surface Area:115
Heavy Atom Count:24
Complexity:448
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
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