2-phenylsulfanyl-2-[2-[[3-(trifluoromethyl)phenyl]amino]pyridin-3-yl]ethanoic acid

Systemtic Name: 2-phenylsulfanyl-2-[2-[[3-(trifluoromethyl)phenyl]amino]pyridin-3-yl]ethanoic acid Openeye Name: 2-phenylsulfanyl-2-[2-[3-(trifluoromethyl)anilino]-3-pyridyl]acetic acid CAS Name: 2-(phenylthio)-2-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]acetic acid IUPAC Name: 2-phenylsulfanyl-2-[2-[3-(trifluoromethyl)anilino]pyridin-3-yl]acetic acid Traditional Name: 2-(phenylthio)-2-[2-[3-(trifluoromethyl)anilino]-3-pyridyl]acetic acid Formula: C20H15F3N2O2S MolecularWeight: 404.40551

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC(C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C20H15F3N2O2S/c21-20(22,23)13-6-4-7-14(12-13)25-18-16(10-5-11-24-18)17(19(26)27)28-15-8-2-1-3-9-15/h1-12,17H,(H,24,25)(H,26,27)