2-[[5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
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![2-[[5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/88dcad227cc94bfb842bb82ddea50a20.png "2-[[5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide")
2-[[5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
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CAS No:
539809-74-0
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Formula:
C25H24ClN5OS
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Chemical Name:
2-[[5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
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Synonyms:
ZINC2507698;STK680735;MCULE-3918731779;2-((5-(((3-Chloro-2-methylphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide;2-({5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide;2-[(5-{[(3-chloro-2-methylphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide;539809-74-0
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CAS No:
2-[[5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide Basic Attributes
478.0 g/mol
477.1390093 g/mol
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:478.0
XLogP3:5.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:477.1390093
Monoisotopic Mass:477.1390093
Topological Polar Surface Area:97.1
Heavy Atom Count:33
Complexity:614
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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