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

Systemtic Name: 2-[(2-cyanophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(2-cyanophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(2-cyanophenyl)methylthio]-6-(4-methoxyphenyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(2-cyanophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(2-cyanobenzyl)thio]-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C22H14F3N3OS MolecularWeight: 425.42627

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=C3C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H14F3N3OS/c1-29-17-8-6-14(7-9-17)20-10-19(22(23,24)25)18(12-27)21(28-20)30-13-16-5-3-2-4-15(16)11-26/h2-10H,13H2,1H3