2-[2-methyl-4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[[4-(1-pyrazolyl)phenyl]methylthio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[2-methyl-4-[(4-pyrazol-1-ylbenzyl)thio]phenoxy]acetic acid Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC2=CC=C(C=C2)N3C=CC=N3)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC2=CC=C(C=C2)N3C=CC=N3)OCC(=O)O

InChI

InChI=1S/C19H18N2O3S/c1-14-11-17(7-8-18(14)24-12-19(22)23)25-13-15-3-5-16(6-4-15)21-10-2-9-20-21/h2-11H,12-13H2,1H3,(H,22,23)