3-([(4-BROMOBENZYL)SULFINYL]METHYL)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOLE
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![3-([(4-BROMOBENZYL)SULFINYL]METHYL)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOLE structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e68d326eba6f4c74bfa1c8ac7d109f86.png "3-([(4-BROMOBENZYL)SULFINYL]METHYL)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOLE")
3-([(4-BROMOBENZYL)SULFINYL]METHYL)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOLE
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CAS No:
344274-87-9
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Formula:
C23H18BrClFN3OS2
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Chemical Name:
3-([(4-BROMOBENZYL)SULFINYL]METHYL)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOLE
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Synonyms:
3-{[(4-bromobenzyl)sulfinyl]methyl}-5-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole;3-{[(4-bromophenyl)methanesulfinyl]methyl}-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole;MLS000325604;CHEMBL1458776;HMS2582N23;KUC113816N;KS-00003CQ9;AKOS005097749;7H-533S;MCULE-8793126240
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CAS No:
3-([(4-BROMOBENZYL)SULFINYL]METHYL)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOLE Basic Attributes
550.89
548.975
Computed Properties
Molecular Weight:550.9
XLogP3:5.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:548.97472
Monoisotopic Mass:548.97472
Topological Polar Surface Area:92.3
Heavy Atom Count:32
Complexity:610
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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