2-[(4-chlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-6-(4-methoxyphenyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-chlorobenzyl)thio]-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C21H14ClF3N2OS MolecularWeight: 434.86187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H14ClF3N2OS/c1-28-16-8-4-14(5-9-16)19-10-18(21(23,24)25)17(11-26)20(27-19)29-12-13-2-6-15(22)7-3-13/h2-10H,12H2,1H3