2-[2-methyl-4-[2-(5-methyl-3-phenyl-pyrazol-1-yl)ethylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[2-(5-methyl-3-phenyl-pyrazol-1-yl)ethylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[2-(5-methyl-3-phenyl-pyrazol-1-yl)ethylsulfanyl]phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[2-(5-methyl-3-phenyl-1-pyrazolyl)ethylthio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[2-(5-methyl-3-phenylpyrazol-1-yl)ethylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[2-methyl-4-[2-(5-methyl-3-phenyl-pyrazol-1-yl)ethylthio]phenoxy]acetic acid Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCSC2=CC(=C(C=C2)OCC(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NN1CCSC2=CC(=C(C=C2)OCC(=O)O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-15-12-18(8-9-20(15)26-14-21(24)25)27-11-10-23-16(2)13-19(22-23)17-6-4-3-5-7-17/h3-9,12-13H,10-11,14H2,1-2H3,(H,24,25)