2-[4-[3,5-bis(2-pyridin-2-ylethynyl)phenyl]sulfanyl-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3,5-bis(2-pyridin-2-ylethynyl)phenyl]sulfanyl-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,5-bis[2-(2-pyridyl)ethynyl]phenyl]sulfanyl-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[[3,5-bis[2-(2-pyridinyl)ethynyl]phenyl]thio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3,5-bis(2-pyridin-2-ylethynyl)phenyl]sulfanyl-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[[3,5-bis[2-(2-pyridyl)ethynyl]phenyl]thio]-2-methyl-phenoxy]acetic acid Formula: C29H20N2O3S MolecularWeight: 476.5457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC2=CC(=CC(=C2)C#CC3=CC=CC=N3)C#CC4=CC=CC=N4)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC2=CC(=CC(=C2)C#CC3=CC=CC=N3)C#CC4=CC=CC=N4)OCC(=O)O

InChI

InChI=1S/C29H20N2O3S/c1-21-16-26(12-13-28(21)34-20-29(32)33)35-27-18-22(8-10-24-6-2-4-14-30-24)17-23(19-27)9-11-25-7-3-5-15-31-25/h2-7,12-19H,20H2,1H3,(H,32,33)