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1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
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![1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0ee115c7fa4a432e874047eadf40e53e.png "1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone")
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
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CAS No:
744263-93-2
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Formula:
C17H18N4OS
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Chemical Name:
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
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Synonyms:
ZINC5932013;AKOS027546269;MCULE-7149225273;AB00723777-01;Z18740709;1-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethan-1-one;744263-93-2
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CAS No:
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Basic Attributes
326.4 g/mol
326.12013238 g/mol
Computed Properties
Molecular Weight:326.4
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:326.12013238
Monoisotopic Mass:326.12013238
Topological Polar Surface Area:88.9
Heavy Atom Count:23
Complexity:413
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
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