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

CAS Registry Number®

439096-33-0
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CAS Name

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

Molecular Formula

C19H17N3S

Molecular Mass

319.42

Cite this Page

3-[(Cyanomethyl)thio]-5,6,7,8-tetrahydro-1-(4-methylphenyl)-4-isoquinolinecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=439096-33-0 (retrieved 2024-08-20) (CAS RN: 439096-33-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H17N3S/c1-13-6-8-14(9-7-13)18-16-5-3-2-4-15(16)17(12-21)19(22-18)23-11-10-20/h6-9H,2-5,11H2,1H3

InChIKey

InChIKey=CTUPHUJTZNVLFM-UHFFFAOYSA-N

SMILES

C(#N)C1=C2C(=C(N=C1SCC#N)C3=CC=C(C)C=C3)CCCC2

Canonical SMILES

N#CC1=C(N=C(C=2C=CC(=CC2)C)C3=C1CCCC3)SCC#N

Other Names for this Substance

  • 4-Isoquinolinecarbonitrile, 3-[(cyanomethyl)thio]-5,6,7,8-tetrahydro-1-(4-methylphenyl)-
  • 3-[(Cyanomethyl)thio]-5,6,7,8-tetrahydro-1-(4-methylphenyl)-4-isoquinolinecarbonitrile