β-Oxo-3-[(phenylthio)methyl]benzenepropanenitrile

CAS Registry Number®

175203-10-8

CAS Name

β-Oxo-3-[(phenylthio)methyl]benzenepropanenitrile

Molecular Formula

C16H13NOS

Molecular Mass

267.35

Cite this Page

β-Oxo-3-[(phenylthio)methyl]benzenepropanenitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=175203-10-8 (retrieved 2025-02-04) (CAS RN: 175203-10-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H13NOS/c17-10-9-16(18)14-6-4-5-13(11-14)12-19-15-7-2-1-3-8-15/h1-8,11H,9,12H2

InChIKey

InChIKey=ITVPGUQUIZMZBT-UHFFFAOYSA-N

SMILES

C(CC#N)(=O)C1=CC(CSC2=CC=CC=C2)=CC=C1

Canonical SMILES

N#CCC(=O)C1=CC=CC(=C1)CSC=2C=CC=CC2

Other Names for this Substance

  • Benzenepropanenitrile, β-oxo-3-[(phenylthio)methyl]-
  • β-Oxo-3-[(phenylthio)methyl]benzenepropanenitrile