S-[3-(trifluoromethyl)phenyl] 5-tert-butyl-2-methyl-pyrazole-3-carbothioate

Systemtic Name: S-[3-(trifluoromethyl)phenyl] 5-tert-butyl-2-methyl-pyrazole-3-carbothioate Openeye Name: S-[3-(trifluoromethyl)phenyl] 5-tert-butyl-2-methyl-pyrazole-3-carbothioate CAS Name: 5-tert-butyl-2-methyl-3-pyrazolecarbothioic acid S-[3-(trifluoromethyl)phenyl] ester IUPAC Name: S-[3-(trifluoromethyl)phenyl] 5-tert-butyl-2-methylpyrazole-3-carbothioate Traditional Name: 5-tert-butyl-2-methyl-pyrazole-3-carbothioic acid S-[3-(trifluoromethyl)phenyl] ester Formula: C16H17F3N2OS MolecularWeight: 342.37919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)SC2=CC=CC(=C2)C(F)(F)F)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)SC2=CC=CC(=C2)C(F)(F)F)C

InChI

InChI=1S/C16H17F3N2OS/c1-15(2,3)13-9-12(21(4)20-13)14(22)23-11-7-5-6-10(8-11)16(17,18)19/h5-9H,1-4H3