Methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)thio]benzoate

CAS Registry Number®

321998-66-7

CAS Name

Methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)thio]benzoate

Molecular Formula

C19H15N3O2S

Molecular Mass

349.41

Cite this Page

Methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)thio]benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=321998-66-7 (retrieved 2024-10-05) (CAS RN: 321998-66-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H15N3O2S/c1-22-18(25-16-11-7-6-10-14(16)19(23)24-2)15(12-20)17(21-22)13-8-4-3-5-9-13/h3-11H,1-2H3

InChIKey

InChIKey=RHDWBYRBEAOGPG-UHFFFAOYSA-N

SMILES

C(#N)C=1C(=NN(C)C1SC2=C(C(OC)=O)C=CC=C2)C3=CC=CC=C3

Canonical SMILES

N#CC=1C(=NN(C1SC=2C=CC=CC2C(=O)OC)C)C=3C=CC=CC3

Other Names for this Substance

  • Benzoic acid, 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)thio]-, methyl ester
  • Methyl 2-[(4-cyano-1-methyl-3-phenyl-1H-pyrazol-5-yl)thio]benzoate

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox