3-(2-chloranylpyrimidin-4-yl)sulfanylbenzoic acid

Systemtic Name: 3-(2-chloranylpyrimidin-4-yl)sulfanylbenzoic acid Openeye Name: 3-(2-chloropyrimidin-4-yl)sulfanylbenzoic acid CAS Name: 3-[(2-chloro-4-pyrimidinyl)thio]benzoic acid IUPAC Name: 3-(2-chloropyrimidin-4-yl)sulfanylbenzoic acid Traditional Name: 3-[(2-chloropyrimidin-4-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(=NC=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)SC2=NC(=NC=C2)Cl)C(=O)O

InChI

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