1-(4-Chlorophenyl)-5,6,7,8-tetrahydro-3-[[[4-(trifluoromethyl)phenyl]methyl]thio]-4-isoquinolinecarbonitrile

CAS Registry Number®

691868-89-0
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CAS Name

1-(4-Chlorophenyl)-5,6,7,8-tetrahydro-3-[[[4-(trifluoromethyl)phenyl]methyl]thio]-4-isoquinolinecarbonitrile

Molecular Formula

C24H18ClF3N2S

Molecular Mass

458.93

Cite this Page

1-(4-Chlorophenyl)-5,6,7,8-tetrahydro-3-[[[4-(trifluoromethyl)phenyl]methyl]thio]-4-isoquinolinecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=691868-89-0 (retrieved 2024-08-18) (CAS RN: 691868-89-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H18ClF3N2S/c25-18-11-7-16(8-12-18)22-20-4-2-1-3-19(20)21(13-29)23(30-22)31-14-15-5-9-17(10-6-15)24(26,27)28/h5-12H,1-4,14H2

InChIKey

InChIKey=AXGIPEBYFAKTIO-UHFFFAOYSA-N

SMILES

C(#N)C1=C2C(=C(N=C1SCC3=CC=C(C(F)(F)F)C=C3)C4=CC=C(Cl)C=C4)CCCC2

Canonical SMILES

N#CC1=C(N=C(C=2C=CC(Cl)=CC2)C3=C1CCCC3)SCC4=CC=C(C=C4)C(F)(F)F

Other Names for this Substance

  • 4-Isoquinolinecarbonitrile, 1-(4-chlorophenyl)-5,6,7,8-tetrahydro-3-[[[4-(trifluoromethyl)phenyl]methyl]thio]-
  • 1-(4-Chlorophenyl)-5,6,7,8-tetrahydro-3-[[[4-(trifluoromethyl)phenyl]methyl]thio]-4-isoquinolinecarbonitrile