3-[[(3-Fluorophenyl)methyl]thio]-5,6,7,8-tetrahydro-1-(3-methylphenyl)-4-isoquinolinecarbonitrile

CAS Registry Number®

439107-42-3
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CAS Name

3-[[(3-Fluorophenyl)methyl]thio]-5,6,7,8-tetrahydro-1-(3-methylphenyl)-4-isoquinolinecarbonitrile

Molecular Formula

C24H21FN2S

Molecular Mass

388.50

Cite this Page

3-[[(3-Fluorophenyl)methyl]thio]-5,6,7,8-tetrahydro-1-(3-methylphenyl)-4-isoquinolinecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=439107-42-3 (retrieved 2024-07-29) (CAS RN: 439107-42-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H21FN2S/c1-16-6-4-8-18(12-16)23-21-11-3-2-10-20(21)22(14-26)24(27-23)28-15-17-7-5-9-19(25)13-17/h4-9,12-13H,2-3,10-11,15H2,1H3

InChIKey

InChIKey=VKHPUUOLDMDKET-UHFFFAOYSA-N

SMILES

S(CC1=CC(F)=CC=C1)C2=NC(=C3C(=C2C#N)CCCC3)C4=CC(C)=CC=C4

Canonical SMILES

N#CC1=C(N=C(C=2C=CC=C(C2)C)C3=C1CCCC3)SCC=4C=CC=C(F)C4

Other Names for this Substance

  • 4-Isoquinolinecarbonitrile, 3-[[(3-fluorophenyl)methyl]thio]-5,6,7,8-tetrahydro-1-(3-methylphenyl)-
  • 3-[[(3-Fluorophenyl)methyl]thio]-5,6,7,8-tetrahydro-1-(3-methylphenyl)-4-isoquinolinecarbonitrile