2-(1H-benzimidazol-2-yl)-4-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile
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![2-(1H-benzimidazol-2-yl)-4-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/048841cc659e46eb93158e1642cfad18.png "2-(1H-benzimidazol-2-yl)-4-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile")
2-(1H-benzimidazol-2-yl)-4-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile
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CAS No:
745793-54-8
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Formula:
C20H15ClN6O2S
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Chemical Name:
2-(1H-benzimidazol-2-yl)-4-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile
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Synonyms:
ZINC2645380;Z24956753;4-{[5-(5-chloro-2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxobutanenitrile;745793-54-8
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CAS No:
2-(1H-benzimidazol-2-yl)-4-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile Basic Attributes
438.9 g/mol
438.0665726 g/mol
Computed Properties
Molecular Weight:438.9
XLogP3:3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:438.0665726
Monoisotopic Mass:438.0665726
Topological Polar Surface Area:149
Heavy Atom Count:30
Complexity:688
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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