S-[3,5-bis(trifluoromethyl)phenyl] 1-(4-chlorophenyl)-5-propyl-pyrazole-4-carbothioate

Systemtic Name: S-[3,5-bis(trifluoromethyl)phenyl] 1-(4-chlorophenyl)-5-propyl-pyrazole-4-carbothioate Openeye Name: S-[3,5-bis(trifluoromethyl)phenyl] 1-(4-chlorophenyl)-5-propyl-pyrazole-4-carbothioate CAS Name: 1-(4-chlorophenyl)-5-propyl-4-pyrazolecarbothioic acid S-[3,5-bis(trifluoromethyl)phenyl] ester IUPAC Name: S-[3,5-bis(trifluoromethyl)phenyl] 1-(4-chlorophenyl)-5-propylpyrazole-4-carbothioate Traditional Name: 1-(4-chlorophenyl)-5-propyl-pyrazole-4-carbothioic acid S-[3,5-bis(trifluoromethyl)phenyl] ester Formula: C21H15ClF6N2OS MolecularWeight: 492.865019

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)SC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)SC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H15ClF6N2OS/c1-2-3-18-17(11-29-30(18)15-6-4-14(22)5-7-15)19(31)32-16-9-12(20(23,24)25)8-13(10-16)21(26,27)28/h4-11H,2-3H2,1H3