1-[[5-(6-Chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone

CAS Registry Number®

680217-04-3
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CAS Name

1-[[5-(6-Chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone

Molecular Formula

C20H18ClF3N4OS

Molecular Mass

454.90

Cite this Page

1-[[5-(6-Chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=680217-04-3 (retrieved 2024-07-05) (CAS RN: 680217-04-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H18ClF3N4OS/c1-19(2,3)15(29)11-30-18-27-26-17(12-7-8-16(21)25-10-12)28(18)14-6-4-5-13(9-14)20(22,23)24/h4-10H,11H2,1-3H3

InChIKey

InChIKey=ITFMGKQYEHCAIG-UHFFFAOYSA-N

SMILES

S(CC(C(C)(C)C)=O)C=1N(C(=NN1)C=2C=CC(Cl)=NC2)C3=CC(C(F)(F)F)=CC=C3

Canonical SMILES

O=C(CSC1=NN=C(C=2C=NC(Cl)=CC2)N1C3=CC=CC(=C3)C(F)(F)F)C(C)(C)C

Other Names for this Substance

  • 2-Butanone, 1-[[5-(6-chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-
  • 1-[[5-(6-Chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone