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

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(4-cyanophenyl)methylthio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-cyanobenzyl)thio]-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C21H12F3N3S MolecularWeight: 395.40029

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)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H12F3N3S/c22-21(23,24)18-10-19(16-4-2-1-3-5-16)27-20(17(18)12-26)28-13-15-8-6-14(11-25)7-9-15/h1-10H,13H2