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-carbonitrileMolecular Formula
C21H21N3SMolecular Mass
347.48Cite 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 ) (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