2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]but-2-enenitrile
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![2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]but-2-enenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/106d112017c64411aa0262558a811b7d.png "2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]but-2-enenitrile")
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]but-2-enenitrile
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CAS No:
750625-36-6
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Formula:
C17H12N6OS2
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Chemical Name:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]but-2-enenitrile
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Synonyms:
ZINC58449068;Z19451503;2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxo-4-{[5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanenitrile;750625-36-6
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CAS No:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]but-2-enenitrile Basic Attributes
380.5 g/mol
380.05140137 g/mol
Computed Properties
Molecular Weight:380.5
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:380.05140137
Monoisotopic Mass:380.05140137
Topological Polar Surface Area:168
Heavy Atom Count:26
Complexity:593
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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