3-Chloro-α-[(4-methylphenyl)sulfonyl]-2-quinoxalineacetonitrile

CAS Registry Number®

121512-59-2
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CAS Name

3-Chloro-α-[(4-methylphenyl)sulfonyl]-2-quinoxalineacetonitrile

Molecular Formula

C17H12ClN3O2S

Molecular Mass

357.81

Cite this Page

3-Chloro-α-[(4-methylphenyl)sulfonyl]-2-quinoxalineacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=121512-59-2 (retrieved 2024-03-28) (CAS RN: 121512-59-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    247 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C17H12ClN3O2S/c1-11-6-8-12(9-7-11)24(22,23)15(10-19)16-17(18)21-14-5-3-2-4-13(14)20-16/h2-9,15H,1H3

InChIKey

InChIKey=OKSFNMZZGILCOI-UHFFFAOYSA-N

SMILES

C(S(=O)(=O)C1=CC=C(C)C=C1)(C#N)C2=NC3=C(N=C2Cl)C=CC=C3

Canonical SMILES

N#CC(C=1N=C2C=CC=CC2=NC1Cl)S(=O)(=O)C3=CC=C(C=C3)C

Other Names for this Substance

  • 2-Quinoxalineacetonitrile, 3-chloro-α-[(4-methylphenyl)sulfonyl]-
  • 3-Chloro-α-[(4-methylphenyl)sulfonyl]-2-quinoxalineacetonitrile
  • (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile
  • 2-(3-Chloroquinoxalin-2-yl)-2-(4-methylphenyl)sulfonylacetonitrile
  • 2-(3-Chloroquinoxalin-2-yl)-2-(4-methylbenzenesulfonyl)acetonitrile

Deleted or Replaced CAS Registry Numbers

1323508-09-3

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