2-(4-[(E)-1,3-BENZODIOXOL-5-YLMETHYLIDENE]-5-OXO-2-([3-(TRIFLUOROMETHYL)BENZYL]SULFANYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL)ACETONITRILE
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![2-(4-[(E)-1,3-BENZODIOXOL-5-YLMETHYLIDENE]-5-OXO-2-([3-(TRIFLUOROMETHYL)BENZYL]SULFANYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL)ACETONITRILE structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d751d44a38264896a0fa24b97d44af25.png "2-(4-[(E)-1,3-BENZODIOXOL-5-YLMETHYLIDENE]-5-OXO-2-([3-(TRIFLUOROMETHYL)BENZYL]SULFANYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL)ACETONITRILE")
2-(4-[(E)-1,3-BENZODIOXOL-5-YLMETHYLIDENE]-5-OXO-2-([3-(TRIFLUOROMETHYL)BENZYL]SULFANYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL)ACETONITRILE
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CAS No:
860651-17-8
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Formula:
C21H14F3N3O3S
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Chemical Name:
2-(4-[(E)-1,3-BENZODIOXOL-5-YLMETHYLIDENE]-5-OXO-2-([3-(TRIFLUOROMETHYL)BENZYL]SULFANYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL)ACETONITRILE
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Synonyms:
2-[(4E)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-oxo-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazol-1-yl]acetonitrile;2-(4-[(E)-1,3-benzodioxol-5-ylmethylidene]-5-oxo-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4,5-dihydro-1H-imidazol-1-yl)acetonitrile;ZINC8762595;AKOS005079396;11W-0220
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CAS No:
2-(4-[(E)-1,3-BENZODIOXOL-5-YLMETHYLIDENE]-5-OXO-2-([3-(TRIFLUOROMETHYL)BENZYL]SULFANYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL)ACETONITRILE Basic Attributes
445.41
445.070797 g/mol
Computed Properties
Molecular Weight:445.4
XLogP3:4.4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:445.07079698
Monoisotopic Mass:445.07079698
Topological Polar Surface Area:100
Heavy Atom Count:31
Complexity:807
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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