5-[[4-(1,1-Dimethylethyl)phenyl]thio]-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile

CAS Registry Number®

321998-38-3

CAS Name

5-[[4-(1,1-Dimethylethyl)phenyl]thio]-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile

Molecular Formula

C21H21N3S

Molecular Mass

347.48

Cite this Page

5-[[4-(1,1-Dimethylethyl)phenyl]thio]-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=321998-38-3 (retrieved 2024-10-05) (CAS RN: 321998-38-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H21N3S/c1-21(2,3)16-10-12-17(13-11-16)25-20-18(14-22)19(23-24(20)4)15-8-6-5-7-9-15/h5-13H,1-4H3

InChIKey

InChIKey=OXCNVFZEYSOSAL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC=1C(=NN(C1SC2=CC=C(C=C2)C(C)(C)C)C)C=3C=CC=CC3

Other Names for this Substance

  • 1H-Pyrazole-4-carbonitrile, 5-[[4-(1,1-dimethylethyl)phenyl]thio]-1-methyl-3-phenyl-
  • 5-[[4-(1,1-Dimethylethyl)phenyl]thio]-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile

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