S-pyridin-2-yl 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioate

Systemtic Name: S-pyridin-2-yl 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioate Openeye Name: S-(2-pyridyl) 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioate CAS Name: 1-(4-chlorophenyl)-5-(trifluoromethyl)-4-pyrazolecarbothioic acid S-(2-pyridinyl) ester IUPAC Name: S-pyridin-2-yl 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioate Traditional Name: 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioic acid S-(2-pyridyl) ester Formula: C16H9ClF3N3OS MolecularWeight: 383.77537

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)SC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C16H9ClF3N3OS/c17-10-4-6-11(7-5-10)23-14(16(18,19)20)12(9-22-23)15(24)25-13-3-1-2-8-21-13/h1-9H