2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
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![2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4dca26b6611343ab9d16142397c4a673.png "2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole")
2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
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CAS No:
578735-97-4
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Formula:
C23H20N6OS
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Chemical Name:
2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
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Synonyms:
578735-97-4;ZINC8970440;STK558379;AKOS002192890;MCULE-4278036589;ST50085792;1-[3-(benzimidazol-2-ylmethylthio)-5-(3-pyridyl)(1,2,4-triazol-4-yl)]-4-ethoxy benzene;2-(((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole;2-({[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole;4-[3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-pyridinyl)-4H-1,2,4-triazol-4-yl]phenyl ethyl ether
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CAS No:
2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Basic Attributes
428.5 g/mol
428.14193046 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:428.5
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:428.14193046
Monoisotopic Mass:428.14193046
Topological Polar Surface Area:107
Heavy Atom Count:31
Complexity:562
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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