3-[3-[2-(Methylthio)phenyl]-1-oxopropyl]benzonitrile

CAS Registry Number®

898754-33-1
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CAS Name

3-[3-[2-(Methylthio)phenyl]-1-oxopropyl]benzonitrile

Molecular Formula

C17H15NOS

Molecular Mass

281.37

Cite this Page

3-[3-[2-(Methylthio)phenyl]-1-oxopropyl]benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898754-33-1 (retrieved 2024-07-09) (CAS RN: 898754-33-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H15NOS/c1-20-17-8-3-2-6-14(17)9-10-16(19)15-7-4-5-13(11-15)12-18/h2-8,11H,9-10H2,1H3

InChIKey

InChIKey=HBTIPVLKFYJUMC-UHFFFAOYSA-N

SMILES

C(CC(=O)C1=CC(C#N)=CC=C1)C2=C(SC)C=CC=C2

Canonical SMILES

N#CC1=CC=CC(=C1)C(=O)CCC=2C=CC=CC2SC

Other Names for this Substance

  • Benzonitrile, 3-[3-[2-(methylthio)phenyl]-1-oxopropyl]-
  • 3-[3-[2-(Methylthio)phenyl]-1-oxopropyl]benzonitrile