3-[[(2-Chlorophenyl)methyl]sulfonyl]-5-methyl-4-isothiazolecarbonitrile

CAS Registry Number®

339021-04-4
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CAS Name

3-[[(2-Chlorophenyl)methyl]sulfonyl]-5-methyl-4-isothiazolecarbonitrile

Molecular Formula

C12H9ClN2O2S2

Molecular Mass

312.80

Cite this Page

3-[[(2-Chlorophenyl)methyl]sulfonyl]-5-methyl-4-isothiazolecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=339021-04-4 (retrieved 2024-07-06) (CAS RN: 339021-04-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H9ClN2O2S2/c1-8-10(6-14)12(15-18-8)19(16,17)7-9-4-2-3-5-11(9)13/h2-5H,7H2,1H3

InChIKey

InChIKey=DHNQMGHIZKQQOE-UHFFFAOYSA-N

SMILES

S(CC1=C(Cl)C=CC=C1)(=O)(=O)C=2C(C#N)=C(C)SN2

Canonical SMILES

N#CC1=C(SN=C1S(=O)(=O)CC=2C=CC=CC2Cl)C

Other Names for this Substance

  • 4-Isothiazolecarbonitrile, 3-[[(2-chlorophenyl)methyl]sulfonyl]-5-methyl-
  • 3-[[(2-Chlorophenyl)methyl]sulfonyl]-5-methyl-4-isothiazolecarbonitrile
  • 3-((2-Chlorobenzyl)sulfonyl)-5-methylisothiazole-4-carbonitrile