2-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)sulfanyl-ethanoic acid

Systemtic Name: 2-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)sulfanyl-ethanoic acid Openeye Name: 2-(5-methylpyrimidin-2-yl)sulfanyl-2-(o-tolyl)acetic acid CAS Name: 2-(2-methylphenyl)-2-[(5-methyl-2-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(5-methylpyrimidin-2-yl)thio]-2-(o-tolyl)acetic acid Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(=O)O)SC2=NC=C(C=N2)C

Isomeric SMILES

CC1=CC=CC=C1C(C(=O)O)SC2=NC=C(C=N2)C

InChI

InChI=1S/C14H14N2O2S/c1-9-7-15-14(16-8-9)19-12(13(17)18)11-6-4-3-5-10(11)2/h3-8,12H,1-2H3,(H,17,18)