4-(pyrimidin-4-ylsulfanylmethyl)benzoic acid

Systemtic Name: 4-(pyrimidin-4-ylsulfanylmethyl)benzoic acid Openeye Name: 4-(pyrimidin-4-ylsulfanylmethyl)benzoic acid CAS Name: 4-[(4-pyrimidinylthio)methyl]benzoic acid IUPAC Name: 4-(pyrimidin-4-ylsulfanylmethyl)benzoic acid Traditional Name: 4-[(4-pyrimidylthio)methyl]benzoic acid Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NC=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NC=C2)C(=O)O

InChI

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