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

CAS Registry Number®

439107-38-7
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CAS Name

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

Molecular Formula

C19H17N3S

Molecular Mass

319.42

Cite this Page

3-[(Cyanomethyl)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=439107-38-7 (retrieved 2024-08-17) (CAS RN: 439107-38-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H17N3S/c1-13-5-4-6-14(11-13)18-16-8-3-2-7-15(16)17(12-21)19(22-18)23-10-9-20/h4-6,11H,2-3,7-8,10H2,1H3

InChIKey

InChIKey=YKTXTOSSTZDQBV-UHFFFAOYSA-N

SMILES

S(CC#N)C1=NC(=C2C(=C1C#N)CCCC2)C3=CC(C)=CC=C3

Canonical SMILES

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

Other Names for this Substance

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