2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(4-methyl-5-pyridin-4-yl-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-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]but-2-enenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/51b6ebde74b54138919b8ef64d9d501c.png "2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]but-2-enenitrile")
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]but-2-enenitrile
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CAS No:
730245-03-1
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Formula:
C19H15N7OS
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Chemical Name:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]but-2-enenitrile
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Synonyms:
ZINC6537288;Z20252560;2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanenitrile;730245-03-1
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CAS No:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]but-2-enenitrile Basic Attributes
389.4 g/mol
389.10587930 g/mol
Computed Properties
Molecular Weight:389.4
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:389.10587930
Monoisotopic Mass:389.10587930
Topological Polar Surface Area:142
Heavy Atom Count:28
Complexity:629
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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