6-tert-butyl-2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-tert-butyl-2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-tert-butyl-2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-tert-butyl-2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-tert-butyl-2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-4-(trifluoromethyl)nicotinonitrile Formula: C21H20F4N2OS MolecularWeight: 424.454913

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)SCCCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H20F4N2OS/c1-20(2,3)18-11-16(21(23,24)25)15(12-26)19(27-18)29-10-4-5-17(28)13-6-8-14(22)9-7-13/h6-9,11H,4-5,10H2,1-3H3