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2-(1H-benzimidazol-2-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxybut-2-enenitrile
2-(1H-benzimidazol-2-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxybut-2-enenitrile
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![2-(1H-benzimidazol-2-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxybut-2-enenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/863a4fcf1e7940a3b73f4cd72d498cde.png "2-(1H-benzimidazol-2-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxybut-2-enenitrile")
2-(1H-benzimidazol-2-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxybut-2-enenitrile
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CAS No:
561057-72-5
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Formula:
C21H18N6OS
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Chemical Name:
2-(1H-benzimidazol-2-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxybut-2-enenitrile
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Synonyms:
ZINC6007269;Z16261490;2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanenitrile;561057-72-5
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CAS No:
2-(1H-benzimidazol-2-yl)-4-[(4-ethyl-5-phenyl-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
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:402.12628039
Monoisotopic Mass:402.12628039
Topological Polar Surface Area:129
Heavy Atom Count:29
Complexity:642
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-(1H-benzimidazol-2-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxybut-2-enenitrile
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