6-tert-butyl-2-(naphthalen-1-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-(naphthalen-1-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-tert-butyl-2-(1-naphthylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-tert-butyl-2-(1-naphthalenylmethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-tert-butyl-2-(naphthalen-1-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-tert-butyl-2-(1-naphthylmethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C22H19F3N2S MolecularWeight: 400.45987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H19F3N2S/c1-21(2,3)19-11-18(22(23,24)25)17(12-26)20(27-19)28-13-15-9-6-8-14-7-4-5-10-16(14)15/h4-11H,13H2,1-3H3