2-phenyl-2-(pyrimidin-4-ylmethylsulfanyl)ethanoate

Systemtic Name: 2-phenyl-2-(pyrimidin-4-ylmethylsulfanyl)ethanoate Openeye Name: 2-phenyl-2-(pyrimidin-4-ylmethylsulfanyl)acetate CAS Name: 2-phenyl-2-(4-pyrimidinylmethylthio)acetate IUPAC Name: 2-phenyl-2-(pyrimidin-4-ylmethylsulfanyl)acetate Traditional Name: 2-phenyl-2-(4-pyrimidylmethylthio)acetate Formula: C13H11N2O2S- MolecularWeight: 259.30364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)[O-])SCC2=NC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)[O-])SCC2=NC=NC=C2

InChI

InChI=1S/C13H12N2O2S/c16-13(17)12(10-4-2-1-3-5-10)18-8-11-6-7-14-9-15-11/h1-7,9,12H,8H2,(H,16,17)/p-1