2-(4-chlorophenyl)-2-pyrimidin-2-ylsulfanyl-ethanoic acid

Systemtic Name: 2-(4-chlorophenyl)-2-pyrimidin-2-ylsulfanyl-ethanoic acid Openeye Name: 2-(4-chlorophenyl)-2-pyrimidin-2-ylsulfanyl-acetic acid CAS Name: 2-(4-chlorophenyl)-2-(2-pyrimidinylthio)acetic acid IUPAC Name: 2-(4-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetic acid Traditional Name: 2-(4-chlorophenyl)-2-(2-pyrimidylthio)acetic acid Formula: C12H9ClN2O2S MolecularWeight: 280.73006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O2S/c13-9-4-2-8(3-5-9)10(11(16)17)18-12-14-6-1-7-15-12/h1-7,10H,(H,16,17)