6-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-(phenylmethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-benzylsulfanyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C21H15F3N2OS MolecularWeight: 400.41681

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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H15F3N2OS/c1-27-16-9-7-15(8-10-16)19-11-18(21(22,23)24)17(12-25)20(26-19)28-13-14-5-3-2-4-6-14/h2-11H,13H2,1H3