N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(trifluoromethylsulfanyl)benzamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-(trifluoromethylthio)benzamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfanyl)benzamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(trifluoromethylthio)benzamide Formula: C21H20F3N3OS MolecularWeight: 419.46321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC=C(C=C3)SC(F)(F)F

InChI

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