4-[3-[4-(Methylthio)phenyl]-1-oxopropyl]benzonitrile

CAS Registry Number®

898780-91-1
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CAS Name

4-[3-[4-(Methylthio)phenyl]-1-oxopropyl]benzonitrile

Molecular Formula

C17H15NOS

Molecular Mass

281.37

Cite this Page

4-[3-[4-(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=898780-91-1 (retrieved 2024-09-07) (CAS RN: 898780-91-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=KSBWQPGTSQJARM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=C(C=C1)C(=O)CCC2=CC=C(SC)C=C2

Other Names for this Substance

  • Benzonitrile, 4-[3-[4-(methylthio)phenyl]-1-oxopropyl]-
  • 4-[3-[4-(Methylthio)phenyl]-1-oxopropyl]benzonitrile