2-[2-methyl-4-[[5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[[5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[[5-phenyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methylsulfanyl]phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[[5-phenyl-2-[4-(trifluoromethyl)phenyl]-4-triazolyl]methylthio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[[5-phenyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[2-methyl-4-[[5-phenyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methylthio]phenoxy]acetic acid Formula: C25H20F3N3O3S MolecularWeight: 499.50481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC2=NN(N=C2C3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC2=NN(N=C2C3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F)OCC(=O)O

InChI

InChI=1S/C25H20F3N3O3S/c1-16-13-20(11-12-22(16)34-14-23(32)33)35-15-21-24(17-5-3-2-4-6-17)30-31(29-21)19-9-7-18(8-10-19)25(26,27)28/h2-13H,14-15H2,1H3,(H,32,33)