2-[2,5-dimethyl-4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2,5-dimethyl-4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[2,5-dimethyl-4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]phenoxy]acetic acid CAS Name: 2-[2,5-dimethyl-4-[[4-(1-pyrazolyl)phenyl]methylthio]phenoxy]acetic acid IUPAC Name: 2-[2,5-dimethyl-4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[2,5-dimethyl-4-[(4-pyrazol-1-ylbenzyl)thio]phenoxy]acetic acid Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SCC2=CC=C(C=C2)N3C=CC=N3)C)OCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1SCC2=CC=C(C=C2)N3C=CC=N3)C)OCC(=O)O

InChI

InChI=1S/C20H20N2O3S/c1-14-11-19(15(2)10-18(14)25-12-20(23)24)26-13-16-4-6-17(7-5-16)22-9-3-8-21-22/h3-11H,12-13H2,1-2H3,(H,23,24)