2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-enenitrile
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![2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-enenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c763b867e58d42499aa38b7d441fbdfe.png "2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-enenitrile")
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-enenitrile
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CAS No:
729587-50-2
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Formula:
C20H16N6OS
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Chemical Name:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-enenitrile
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Synonyms:
ZINC6537282;Z20254287;2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanenitrile;729587-50-2
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CAS No:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-enenitrile Basic Attributes
388.4 g/mol
388.11063033 g/mol
Computed Properties
Molecular Weight:388.4
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:388.11063033
Monoisotopic Mass:388.11063033
Topological Polar Surface Area:129
Heavy Atom Count:28
Complexity:627
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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