N-(2,3-dimethylphenyl)-6-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide

Systemtic Name: N-(2,3-dimethylphenyl)-6-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-6-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide CAS Name: N-(2,3-dimethylphenyl)-6-(phenylthio)-4-(trifluoromethyl)-3-pyridinecarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-6-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide Traditional Name: N-(2,3-dimethylphenyl)-6-(phenylthio)-4-(trifluoromethyl)nicotinamide Formula: C21H17F3N2OS MolecularWeight: 402.43269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=CN=C(C=C2C(F)(F)F)SC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=CN=C(C=C2C(F)(F)F)SC3=CC=CC=C3)C

InChI

InChI=1S/C21H17F3N2OS/c1-13-7-6-10-18(14(13)2)26-20(27)16-12-25-19(11-17(16)21(22,23)24)28-15-8-4-3-5-9-15/h3-12H,1-2H3,(H,26,27)