1-[[4-[[4-phenyl-3-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[4-[[4-phenyl-3-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-[[4-phenyl-3-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-[[[4-phenyl-3-(trifluoromethyl)phenyl]thio]methyl]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-[[4-phenyl-3-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-[[[4-phenyl-3-(trifluoromethyl)phenyl]thio]methyl]benzyl]azetidine-3-carboxylic acid Formula: C25H22F3NO2S MolecularWeight: 457.50789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1CC2=CC=C(C=C2)CSC3=CC(=C(C=C3)C4=CC=CC=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(CN1CC2=CC=C(C=C2)CSC3=CC(=C(C=C3)C4=CC=CC=C4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C25H22F3NO2S/c26-25(27,28)23-12-21(10-11-22(23)19-4-2-1-3-5-19)32-16-18-8-6-17(7-9-18)13-29-14-20(15-29)24(30)31/h1-12,20H,13-16H2,(H,30,31)