2-(1H-benzimidazol-2-yl)-4-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile
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![2-(1H-benzimidazol-2-yl)-4-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0a9343bbac0b4276becf48a7da1aeb39.png "2-(1H-benzimidazol-2-yl)-4-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile")
2-(1H-benzimidazol-2-yl)-4-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile
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CAS No:
728897-81-2
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Formula:
C24H18N6O2S
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Chemical Name:
2-(1H-benzimidazol-2-yl)-4-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile
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Synonyms:
ZINC6017277;Z14362203;4-{[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxobutanenitrile;728897-81-2
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CAS No:
2-(1H-benzimidazol-2-yl)-4-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile Basic Attributes
454.5 g/mol
454.12119501 g/mol
Computed Properties
Molecular Weight:454.5
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:454.12119501
Monoisotopic Mass:454.12119501
Topological Polar Surface Area:142
Heavy Atom Count:33
Complexity:751
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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