2-[3-[4-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)phenoxy]phenyl]ethanoic acid

Systemtic Name: 2-[3-[4-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)phenoxy]phenyl]ethanoic acid Openeye Name: 2-[3-[4-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)phenoxy]phenyl]acetic acid CAS Name: 2-[3-[4-(1-methyl-4-pyrazolyl)-2-[(phenylthio)methyl]phenoxy]phenyl]acetic acid IUPAC Name: 2-[3-[4-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)phenoxy]phenyl]acetic acid Traditional Name: 2-[3-[4-(1-methylpyrazol-4-yl)-2-[(phenylthio)methyl]phenoxy]phenyl]acetic acid Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=CC(=C(C=C2)OC3=CC=CC(=C3)CC(=O)O)CSC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C2=CC(=C(C=C2)OC3=CC=CC(=C3)CC(=O)O)CSC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3S/c1-27-16-21(15-26-27)19-10-11-24(20(14-19)17-31-23-8-3-2-4-9-23)30-22-7-5-6-18(12-22)13-25(28)29/h2-12,14-16H,13,17H2,1H3,(H,28,29)