3-(pyrimidin-2-ylsulfanylmethyl)benzoic acid

Systemtic Name: 3-(pyrimidin-2-ylsulfanylmethyl)benzoic acid Openeye Name: 3-(pyrimidin-2-ylsulfanylmethyl)benzoic acid CAS Name: 3-[(2-pyrimidinylthio)methyl]benzoic acid IUPAC Name: 3-(pyrimidin-2-ylsulfanylmethyl)benzoic acid Traditional Name: 3-[(2-pyrimidylthio)methyl]benzoic acid Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=CC=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=CC=N2)C(=O)O

InChI

InChI=1S/C12H10N2O2S/c15-11(16)10-4-1-3-9(7-10)8-17-12-13-5-2-6-14-12/h1-7H,8H2,(H,15,16)