2-(1H-benzimidazol-2-yl)-4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile
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![2-(1H-benzimidazol-2-yl)-4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/67fc1e950ee24c7fbf048d318bf4a370.png "2-(1H-benzimidazol-2-yl)-4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile")
2-(1H-benzimidazol-2-yl)-4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile
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CAS No:
787559-81-3
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Formula:
C21H18N6OS
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Chemical Name:
2-(1H-benzimidazol-2-yl)-4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile
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Synonyms:
ZINC6505974;Z25503650;2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4-{[5-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanenitrile;787559-81-3
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CAS No:
2-(1H-benzimidazol-2-yl)-4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile Basic Attributes
402.5 g/mol
402.12628039 g/mol
Computed Properties
Molecular Weight:402.5
XLogP3:4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:402.12628039
Monoisotopic Mass:402.12628039
Topological Polar Surface Area:140
Heavy Atom Count:29
Complexity:640
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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