N-(2,6-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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![N-(2,6-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ba5552b4dcab42e0be9d573dfe036432.png "N-(2,6-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide")
N-(2,6-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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CAS No:
618880-37-8
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Formula:
C20H21N5OS
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Chemical Name:
N-(2,6-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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Synonyms:
618880-37-8;ZINC2415419;STL293923;AKOS002190178;MCULE-9462775268;N-(2,6-dimethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide;ST50081639;2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-dimethylphenyl)acetamide;2-{[4-allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide;N-(2,6-dimethylphenyl)-2-(4-prop-2-enyl-5-(2-pyridyl)(1,2,4-triazol-3-ylthio)) acetamide
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CAS No:
N-(2,6-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Basic Attributes
379.5 g/mol
379.14668148 g/mol
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, 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:379.5
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:379.14668148
Monoisotopic Mass:379.14668148
Topological Polar Surface Area:98
Heavy Atom Count:27
Complexity:495
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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