S-[3-(trifluoromethyl)phenyl] 4-bromanyl-2-tert-butyl-5-methyl-pyrazole-3-carbothioate

Systemtic Name: S-[3-(trifluoromethyl)phenyl] 4-bromanyl-2-tert-butyl-5-methyl-pyrazole-3-carbothioate Openeye Name: S-[3-(trifluoromethyl)phenyl] 4-bromo-2-tert-butyl-5-methyl-pyrazole-3-carbothioate CAS Name: 4-bromo-2-tert-butyl-5-methyl-3-pyrazolecarbothioic acid S-[3-(trifluoromethyl)phenyl] ester IUPAC Name: S-[3-(trifluoromethyl)phenyl] 4-bromo-2-tert-butyl-5-methylpyrazole-3-carbothioate Traditional Name: 4-bromo-2-tert-butyl-5-methyl-pyrazole-3-carbothioic acid S-[3-(trifluoromethyl)phenyl] ester Formula: C16H16BrF3N2OS MolecularWeight: 421.27525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)C(=O)SC2=CC=CC(=C2)C(F)(F)F)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1Br)C(=O)SC2=CC=CC(=C2)C(F)(F)F)C(C)(C)C

InChI

InChI=1S/C16H16BrF3N2OS/c1-9-12(17)13(22(21-9)15(2,3)4)14(23)24-11-7-5-6-10(8-11)16(18,19)20/h5-8H,1-4H3