3-[4-(4-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyridine
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![3-[4-(4-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyridine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1b1252d4b25447868c03b6a10e85c427.png "3-[4-(4-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyridine")
3-[4-(4-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyridine
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CAS No:
477734-67-1
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Formula:
C22H17BrN4S
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Chemical Name:
3-[4-(4-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyridine
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Synonyms:
3-(4-(4-Bromophenyl)-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)pyridine;477734-67-1;ZINC1836482;STK722970;AKOS005524708;3-[4-(4-bromophenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine
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CAS No:
3-[4-(4-bromophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyridine Basic Attributes
449.4 g/mol
448.03573 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:449.4
XLogP3:5.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:448.03573
Monoisotopic Mass:448.03573
Topological Polar Surface Area:68.9
Heavy Atom Count:28
Complexity:491
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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