2-(pyrimidin-2-ylsulfanylmethyl)benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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