6-tert-butyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-tert-butyl-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-tert-butyl-2-[(2-chloro-6-fluorophenyl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-tert-butyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-tert-butyl-2-[(2-chloro-6-fluoro-benzyl)thio]-4-(trifluoromethyl)nicotinonitrile Formula: C18H15ClF4N2S MolecularWeight: 402.836713

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=C(C=CC=C2Cl)F

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C18H15ClF4N2S/c1-17(2,3)15-7-12(18(21,22)23)10(8-24)16(25-15)26-9-11-13(19)5-4-6-14(11)20/h4-7H,9H2,1-3H3