3-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-5,6,7,8-tetrahydro-1-(trifluoromethyl)-4-isoquinolinecarbonitrile

CAS Registry Number®

1005670-05-2

CAS Name

3-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-5,6,7,8-tetrahydro-1-(trifluoromethyl)-4-isoquinolinecarbonitrile

Molecular Formula

C15H12BrF3N4S

Molecular Mass

417.25

Cite this Page

3-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-5,6,7,8-tetrahydro-1-(trifluoromethyl)-4-isoquinolinecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1005670-05-2 (retrieved 2024-10-01) (CAS RN: 1005670-05-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H12BrF3N4S/c16-9-6-21-23(7-9)8-24-14-12(5-20)10-3-1-2-4-11(10)13(22-14)15(17,18)19/h6-7H,1-4,8H2

InChIKey

InChIKey=NMNZNQIVCZFHSF-UHFFFAOYSA-N

SMILES

C(#N)C1=C2C(=C(C(F)(F)F)N=C1SCN3C=C(Br)C=N3)CCCC2

Canonical SMILES

N#CC1=C(N=C(C2=C1CCCC2)C(F)(F)F)SCN3N=CC(Br)=C3

Other Names for this Substance

  • 4-Isoquinolinecarbonitrile, 3-[[(4-bromo-1H-pyrazol-1-yl)methyl]thio]-5,6,7,8-tetrahydro-1-(trifluoromethyl)-
  • 3-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-5,6,7,8-tetrahydro-1-(trifluoromethyl)-4-isoquinolinecarbonitrile

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