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

Systemtic Name: S-[3,5-bis(trifluoromethyl)phenyl] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carbothioate Openeye Name: S-[3,5-bis(trifluoromethyl)phenyl] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carbothioate CAS Name: 1-phenyl-5-(trifluoromethyl)-4-pyrazolecarbothioic acid S-[3,5-bis(trifluoromethyl)phenyl] ester IUPAC Name: S-[3,5-bis(trifluoromethyl)phenyl] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carbothioate Traditional Name: 1-phenyl-5-(trifluoromethyl)pyrazole-4-carbothioic acid S-[3,5-bis(trifluoromethyl)phenyl] ester Formula: C19H9F9N2OS MolecularWeight: 484.338189

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)SC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)SC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H9F9N2OS/c20-17(21,22)10-6-11(18(23,24)25)8-13(7-10)32-16(31)14-9-29-30(15(14)19(26,27)28)12-4-2-1-3-5-12/h1-9H