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

Systemtic Name: 2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(6-chloro-3-pyridyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(6-chloro-3-pyridinyl)methylthio]-6-(4-methoxyphenyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(6-chloropyridin-3-yl)methylsulfanyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(6-chloro-3-pyridyl)methylthio]-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C20H13ClF3N3OS MolecularWeight: 435.84993

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=CN=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClF3N3OS/c1-28-14-5-3-13(4-6-14)17-8-16(20(22,23)24)15(9-25)19(27-17)29-11-12-2-7-18(21)26-10-12/h2-8,10H,11H2,1H3