N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
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![N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/70ba23c64b00458c92ac4d5fcc3c9f01.png "N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide")
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
structure -
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CAS No:
333313-72-7
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Formula:
C27H26N6OS2
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Chemical Name:
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
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Synonyms:
333313-72-7;ZINC2074252;AKOS000563792;MCULE-1333778138;ST50261387;N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-2-(5-{[(4-methylphenyl)am ino]methyl}-4-phenyl(1,2,4-triazol-3-ylthio))acetamide;N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-[4-phenyl-5-(p-tolylamino-methyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide;N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((4-phenyl-5-((p-tolylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
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CAS No:
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Basic Attributes
514.7 g/mol
514.16095182 g/mol
Computed Properties
Molecular Weight:514.7
XLogP3:6.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:514.16095182
Monoisotopic Mass:514.16095182
Topological Polar Surface Area:149
Heavy Atom Count:36
Complexity:778
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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