N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(2-pyridyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-1-(2-pyridinyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-1-(2-pyridyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C22H17F3N6OS MolecularWeight: 470.47019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=C(N(N=C3)C4=CC=CC=N4)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=C(N(N=C3)C4=CC=CC=N4)C(F)(F)F)C

InChI

InChI=1S/C22H17F3N6OS/c1-13-11-14(2)29-21(28-13)33-16-8-6-15(7-9-16)30-20(32)17-12-27-31(19(17)22(23,24)25)18-5-3-4-10-26-18/h3-12H,1-2H3,(H,30,32)