2-(2,6-dimethylpyrimidin-4-yl)sulfanylbenzoic acid

Systemtic Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanylbenzoic acid Openeye Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanylbenzoic acid CAS Name: 2-[(2,6-dimethyl-4-pyrimidinyl)thio]benzoic acid IUPAC Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanylbenzoic acid Traditional Name: 2-[(2,6-dimethylpyrimidin-4-yl)thio]benzoic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)C)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H12N2O2S/c1-8-7-12(15-9(2)14-8)18-11-6-4-3-5-10(11)13(16)17/h3-7H,1-2H3,(H,16,17)