2-chloranyl-3-(phenylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide

Systemtic Name: 2-chloranyl-3-(phenylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide Openeye Name: 3-benzylsulfanyl-2-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide CAS Name: 2-chloro-3-(phenylmethylthio)-N-[4-(trifluoromethyl)phenyl]-4-pyridinecarboxamide IUPAC Name: 3-benzylsulfanyl-2-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide Traditional Name: 3-(benzylthio)-2-chloro-N-[4-(trifluoromethyl)phenyl]isonicotinamide Formula: C20H14ClF3N2OS MolecularWeight: 422.85117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=CN=C2Cl)C(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=CN=C2Cl)C(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H14ClF3N2OS/c21-18-17(28-12-13-4-2-1-3-5-13)16(10-11-25-18)19(27)26-15-8-6-14(7-9-15)20(22,23)24/h1-11H,12H2,(H,26,27)