2-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]phenoxy]propanoic acid

Systemtic Name: 2-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]phenoxy]propanoic acid Openeye Name: 2-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]phenoxy]propanoic acid CAS Name: 2-[3-methyl-4-[[4-(1-pyrazolyl)phenyl]methylthio]phenoxy]propanoic acid IUPAC Name: 2-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]phenoxy]propanoic acid Traditional Name: 2-[3-methyl-4-[(4-pyrazol-1-ylbenzyl)thio]phenoxy]propionic acid Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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