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

CAS Registry Number®

898754-31-9

CAS Name

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

Molecular Formula

C17H15NOS

Molecular Mass

281.37

Cite this Page

2-[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=898754-31-9 (retrieved 2024-11-25) (CAS RN: 898754-31-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=KPBYWJPJPDWYDV-UHFFFAOYSA-N

SMILES

C(CCC1=C(SC)C=CC=C1)(=O)C2=C(C#N)C=CC=C2

Canonical SMILES

N#CC=1C=CC=CC1C(=O)CCC=2C=CC=CC2SC

Other Names for this Substance

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

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