2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[2-(4-chlorophenyl)sulfonylethylthio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[2-(4-chlorophenyl)sulfonylethylthio]-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C21H14ClF3N2O2S2 MolecularWeight: 482.92627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H14ClF3N2O2S2/c22-15-6-8-16(9-7-15)31(28,29)11-10-30-20-17(13-26)18(21(23,24)25)12-19(27-20)14-4-2-1-3-5-14/h1-9,12H,10-11H2