2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)propanamide

Systemtic Name: 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)propanamide CAS Name: 2-methyl-3-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(phenylthio)phenyl]propionamide Formula: C21H20F3N3OS MolecularWeight: 419.46321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CC(C)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3OS/c1-14(13-27-15(2)12-19(26-27)21(22,23)24)20(28)25-17-10-6-7-11-18(17)29-16-8-4-3-5-9-16/h3-12,14H,13H2,1-2H3,(H,25,28)