2-(4-chlorophenyl)-2-(5-methylpyrimidin-2-yl)sulfanyl-ethanoic acid

Systemtic Name: 2-(4-chlorophenyl)-2-(5-methylpyrimidin-2-yl)sulfanyl-ethanoic acid Openeye Name: 2-(4-chlorophenyl)-2-(5-methylpyrimidin-2-yl)sulfanyl-acetic acid CAS Name: 2-(4-chlorophenyl)-2-[(5-methyl-2-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(4-chlorophenyl)-2-(5-methylpyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-(4-chlorophenyl)-2-[(5-methylpyrimidin-2-yl)thio]acetic acid Formula: C13H11ClN2O2S MolecularWeight: 294.75664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1)SC(C2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CN=C(N=C1)SC(C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H11ClN2O2S/c1-8-6-15-13(16-7-8)19-11(12(17)18)9-2-4-10(14)5-3-9/h2-7,11H,1H3,(H,17,18)