2-[2-methyl-4-[(3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[(3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[(3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[(3-methyl-1-phenyl-4-pyrazolyl)methylthio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[(3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[2-methyl-4-[(3-methyl-1-phenyl-pyrazol-4-yl)methylthio]phenoxy]acetic acid Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC2=CN(N=C2C)C3=CC=CC=C3)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC2=CN(N=C2C)C3=CC=CC=C3)OCC(=O)O

InChI

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