2-[[3-[(4-pyridin-4-ylphenyl)methoxy]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[3-[(4-pyridin-4-ylphenyl)methoxy]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-[[4-(4-pyridyl)phenyl]methoxy]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[3-[(4-pyridin-4-ylphenyl)methoxy]phenyl]methylthio]acetic acid IUPAC Name: 2-[[3-[(4-pyridin-4-ylphenyl)methoxy]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-[4-(4-pyridyl)benzyl]oxybenzyl]thio]acetic acid Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)C3=CC=NC=C3)CSCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)C3=CC=NC=C3)CSCC(=O)O

InChI

InChI=1S/C21H19NO3S/c23-21(24)15-26-14-17-2-1-3-20(12-17)25-13-16-4-6-18(7-5-16)19-8-10-22-11-9-19/h1-12H,13-15H2,(H,23,24)