4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
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![4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a959bf239d484e9b8dfdac61e3fbac02.png "4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile")
4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
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CAS No:
578762-49-9
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Formula:
C16H13N5S
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Chemical Name:
4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
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Synonyms:
ZINC531397;STL341235;AKOS002188364;MCULE-5217968352;ST50083114;4-(4-Amino-5-phenyl-4H-1,2,4-triazole-3-ylthiomethyl)benzonitrile;4-[(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile;4-{[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile;578762-49-9
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CAS No:
4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Basic Attributes
307.4 g/mol
307.08916661 g/mol
Computed Properties
Molecular Weight:307.4
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:307.08916661
Monoisotopic Mass:307.08916661
Topological Polar Surface Area:106
Heavy Atom Count:22
Complexity:395
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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