2-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanoic acid

Systemtic Name: 2-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanoic acid Openeye Name: 2-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetic acid CAS Name: 2-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid Formula: C14H13ClN2O2S MolecularWeight: 308.78322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C2=CC=C(C=C2)Cl)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC(C2=CC=C(C=C2)Cl)C(=O)O)C

InChI

InChI=1S/C14H13ClN2O2S/c1-8-7-9(2)17-14(16-8)20-12(13(18)19)10-3-5-11(15)6-4-10/h3-7,12H,1-2H3,(H,18,19)