3-(5-chloranylpyrimidin-2-yl)sulfanylbenzoic acid

Systemtic Name: 3-(5-chloranylpyrimidin-2-yl)sulfanylbenzoic acid Openeye Name: 3-(5-chloropyrimidin-2-yl)sulfanylbenzoic acid CAS Name: 3-[(5-chloro-2-pyrimidinyl)thio]benzoic acid IUPAC Name: 3-(5-chloropyrimidin-2-yl)sulfanylbenzoic acid Traditional Name: 3-[(5-chloropyrimidin-2-yl)thio]benzoic acid Formula: C11H7ClN2O2S MolecularWeight: 266.70348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC2=NC=C(C=N2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)SC2=NC=C(C=N2)Cl)C(=O)O

InChI

InChI=1S/C11H7ClN2O2S/c12-8-5-13-11(14-6-8)17-9-3-1-2-7(4-9)10(15)16/h1-6H,(H,15,16)