1-[3,5-dimethyl-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-pyrazol-1-yl]ethanone

Systemtic Name: 1-[3,5-dimethyl-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-pyrazol-1-yl]ethanone Openeye Name: 1-[3,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]pyrazol-1-yl]ethanone CAS Name: 1-[3,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]thio]-1-pyrazolyl]ethanone IUPAC Name: 1-[3,5-dimethyl-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpyrazol-1-yl]ethanone Traditional Name: 1-[3,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridyl]thio]pyrazol-1-yl]ethanone Formula: C13H12F3N3OS MolecularWeight: 315.31409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C)C)SC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=C(C(=NN1C(=O)C)C)SC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H12F3N3OS/c1-7-12(8(2)19(18-7)9(3)20)21-11-5-4-10(6-17-11)13(14,15)16/h4-6H,1-3H3