2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
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![2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1933e4917419415d8ec1d701f059efbf.png "2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide")
2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
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CAS No:
540498-31-5
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Formula:
C21H21Cl2N5OS
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Chemical Name:
2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
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Synonyms:
Oprea1_834722;ZINC1439964;STK681408;MCULE-9093673252;2-((4-Allyl-5-(((3,4-dichlorophenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide;2-({4-allyl-5-[(3,4-dichloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide;2-{[5-{[(3,4-dichlorophenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide;540498-31-5
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CAS No:
2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide Basic Attributes
462.4 g/mol
461.0843869 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:462.4
XLogP3:5.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:461.0843869
Monoisotopic Mass:461.0843869
Topological Polar Surface Area:97.1
Heavy Atom Count:30
Complexity:564
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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