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

Systemtic Name: S-[3,5-bis(trifluoromethyl)phenyl] 1-methyl-5-(trifluoromethyl)pyrazole-4-carbothioate Openeye Name: S-[3,5-bis(trifluoromethyl)phenyl] 1-methyl-5-(trifluoromethyl)pyrazole-4-carbothioate CAS Name: 1-methyl-5-(trifluoromethyl)-4-pyrazolecarbothioic acid S-[3,5-bis(trifluoromethyl)phenyl] ester IUPAC Name: S-[3,5-bis(trifluoromethyl)phenyl] 1-methyl-5-(trifluoromethyl)pyrazole-4-carbothioate Traditional Name: 1-methyl-5-(trifluoromethyl)pyrazole-4-carbothioic acid S-[3,5-bis(trifluoromethyl)phenyl] ester Formula: C14H7F9N2OS MolecularWeight: 422.268809

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)SC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(=C(C=N1)C(=O)SC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C14H7F9N2OS/c1-25-10(14(21,22)23)9(5-24-25)11(26)27-8-3-6(12(15,16)17)2-7(4-8)13(18,19)20/h2-5H,1H3