4-methoxy-4-[3-naphthalen-2-ylsulfanyl-5-(trifluoromethyl)phenyl]oxane

Systemtic Name: 4-methoxy-4-[3-naphthalen-2-ylsulfanyl-5-(trifluoromethyl)phenyl]oxane Openeye Name: 4-methoxy-4-[3-(2-naphthylsulfanyl)-5-(trifluoromethyl)phenyl]tetrahydropyran CAS Name: 4-methoxy-4-[3-(2-naphthalenylthio)-5-(trifluoromethyl)phenyl]oxane IUPAC Name: 4-methoxy-4-[3-naphthalen-2-ylsulfanyl-5-(trifluoromethyl)phenyl]oxane Traditional Name: 4-methoxy-4-[3-(2-naphthylthio)-5-(trifluoromethyl)phenyl]tetrahydropyran Formula: C23H21F3O2S MolecularWeight: 418.47185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1(CCOCC1)C2=CC(=CC(=C2)SC3=CC4=CC=CC=C4C=C3)C(F)(F)F

Isomeric SMILES

COC1(CCOCC1)C2=CC(=CC(=C2)SC3=CC4=CC=CC=C4C=C3)C(F)(F)F

InChI

InChI=1S/C23H21F3O2S/c1-27-22(8-10-28-11-9-22)18-13-19(23(24,25)26)15-21(14-18)29-20-7-6-16-4-2-3-5-17(16)12-20/h2-7,12-15H,8-11H2,1H3