3-((4-(tert-Butyl)benzyl)thio)-1-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Catalog No. :
ACRIRP992
CAS No. :
685109-31-3
Molecular Formula :
C28H27F3N2S
Molecular Weight :
480.60

IUPAC Name:3-((4-(tert-butyl)benzyl)thio)-1-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

3-((4-(tert-Butyl)benzyl)thio)-1-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile structure diagram
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Product Information

Product Name3-((4-(tert-Butyl)benzyl)thio)-1-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
IUPAC Name3-((4-(tert-butyl)benzyl)thio)-1-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Molecular FormulaC28H27F3N2S
Molecular Weight480.60
SMILESN#CC1=C(SCC2=CC=C(C(C)(C)C)C=C2)N=C(C3=CC=CC(C(F)(F)F)=C3)C4=C1CCCC4
InChI KeyAAZOHBZVHGBDOF-UHFFFAOYSA-N
Synonym3-([4-(TERT-BUTYL)BENZYL]SULFANYL)-1-[3-(TRIFLUOROMETHYL)PHENYL]-5,6,7,8-TETRAHYDRO-4-ISOQUINOLINECARBONITRILE;3-{[(4-tert-butylphenyl)methyl]sulfanyl}-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile;4-Isoquinolinecarbonitrile, 3-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-5,6,7,8-tetrahydro-1-[3-(trifluoromethyl)phenyl]-
CAS No.685109-31-3

Synthetic Route by SureRoute

1. ACRIRP992 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  3. reactant_2 route compound structure diagram
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  5. ACRIRP992 route product structure diagram
    ACRIRP992685109-31-3
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2. ACRIRP992 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACRIRP992 route product structure diagram
    ACRIRP992685109-31-3
Inquiry

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