2-(3-methylphenyl)-2-[(5-phenylpyrimidin-2-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-(3-methylphenyl)-2-[(5-phenylpyrimidin-2-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-(m-tolyl)-2-[(5-phenylpyrimidin-2-yl)methylsulfanyl]acetic acid CAS Name: 2-(3-methylphenyl)-2-[(5-phenyl-2-pyrimidinyl)methylthio]acetic acid IUPAC Name: 2-(3-methylphenyl)-2-[(5-phenylpyrimidin-2-yl)methylsulfanyl]acetic acid Traditional Name: 2-(m-tolyl)-2-[(5-phenylpyrimidin-2-yl)methylthio]acetic acid Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C(=O)O)SCC2=NC=C(C=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)C(C(=O)O)SCC2=NC=C(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O2S/c1-14-6-5-9-16(10-14)19(20(23)24)25-13-18-21-11-17(12-22-18)15-7-3-2-4-8-15/h2-12,19H,13H2,1H3,(H,23,24)