4-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
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![4-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/efeff17baa1b4ee0a606f4b083f8481d.png "4-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile")
4-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
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CAS No:
573944-08-8
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Formula:
C18H17N5OS
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Chemical Name:
4-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
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Synonyms:
ZINC2232991;STL340578;AKOS002189946;MCULE-5844039807;ST50084051;4-({[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile;4-{[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzenecarbonitri le;573944-08-8
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CAS No:
4-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Basic Attributes
351.4 g/mol
351.11538136 g/mol
Computed Properties
Molecular Weight:351.4
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:351.11538136
Monoisotopic Mass:351.11538136
Topological Polar Surface Area:115
Heavy Atom Count:25
Complexity:462
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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