3-(1-[(4-BROMOPHENYL)SULFONYL]-2-PYRROLIDINYL)-4-METHYL-5-[(4-NITROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOLE
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![3-(1-[(4-BROMOPHENYL)SULFONYL]-2-PYRROLIDINYL)-4-METHYL-5-[(4-NITROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOLE structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/640e088d695548618f73f2fab0e7e885.png "3-(1-[(4-BROMOPHENYL)SULFONYL]-2-PYRROLIDINYL)-4-METHYL-5-[(4-NITROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOLE")
3-(1-[(4-BROMOPHENYL)SULFONYL]-2-PYRROLIDINYL)-4-METHYL-5-[(4-NITROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOLE
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CAS No:
344268-20-8
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Formula:
C20H20BrN5O4S2
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Chemical Name:
3-(1-[(4-BROMOPHENYL)SULFONYL]-2-PYRROLIDINYL)-4-METHYL-5-[(4-NITROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOLE
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Synonyms:
3-[1-(4-bromobenzenesulfonyl)pyrrolidin-2-yl]-4-methyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole;3-{1-[(4-bromophenyl)sulfonyl]-2-pyrrolidinyl}-4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole;KS-00003CNL;AKOS005098067;7H-407S;MCULE-2632282587
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CAS No:
3-(1-[(4-BROMOPHENYL)SULFONYL]-2-PYRROLIDINYL)-4-METHYL-5-[(4-NITROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOLE Basic Attributes
538.44
537.014
Computed Properties
Molecular Weight:538.4
XLogP3:3.5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:537.01401
Monoisotopic Mass:537.01401
Topological Polar Surface Area:148
Heavy Atom Count:32
Complexity:748
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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