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

Systemtic Name: S-[4-(trifluoromethyl)phenyl] 4-bromanyl-2-ethyl-5-methyl-pyrazole-3-carbothioate Openeye Name: S-[4-(trifluoromethyl)phenyl] 4-bromo-2-ethyl-5-methyl-pyrazole-3-carbothioate CAS Name: 4-bromo-2-ethyl-5-methyl-3-pyrazolecarbothioic acid S-[4-(trifluoromethyl)phenyl] ester IUPAC Name: S-[4-(trifluoromethyl)phenyl] 4-bromo-2-ethyl-5-methylpyrazole-3-carbothioate Traditional Name: 4-bromo-2-ethyl-5-methyl-pyrazole-3-carbothioic acid S-[4-(trifluoromethyl)phenyl] ester Formula: C14H12BrF3N2OS MolecularWeight: 393.22209

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)Br)C(=O)SC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCN1C(=C(C(=N1)C)Br)C(=O)SC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H12BrF3N2OS/c1-3-20-12(11(15)8(2)19-20)13(21)22-10-6-4-9(5-7-10)14(16,17)18/h4-7H,3H2,1-2H3