2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide
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![2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0a609fc6ba8a4e09a7b9e8658abb7bba.png "2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide")
2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide
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CAS No:
332922-43-7
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Formula:
C26H23N5OS2
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Chemical Name:
2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide
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Synonyms:
ZINC6446363;AKOS000580119;MCULE-9778073677;ST50256906;2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide;2-(5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-acetamide;N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-2-[4-phenyl-5-benzyl(1,2, 4-triazol-3-ylthio)]acetamide
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CAS No:
2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide Basic Attributes
485.62372
485.134
Computed Properties
Molecular Weight:485.6
XLogP3:6.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:485.13440272
Monoisotopic Mass:485.13440272
Topological Polar Surface Area:137
Heavy Atom Count:34
Complexity:732
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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