2-(pyrimidin-4-ylmethylsulfanyl)ethyl benzoate

Systemtic Name: 2-(pyrimidin-4-ylmethylsulfanyl)ethyl benzoate Openeye Name: 2-(pyrimidin-4-ylmethylsulfanyl)ethyl benzoate CAS Name: benzoic acid 2-(4-pyrimidinylmethylthio)ethyl ester IUPAC Name: 2-(pyrimidin-4-ylmethylsulfanyl)ethyl benzoate Traditional Name: benzoic acid 2-(4-pyrimidylmethylthio)ethyl ester Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCSCC2=NC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCSCC2=NC=NC=C2

InChI

InChI=1S/C14H14N2O2S/c17-14(12-4-2-1-3-5-12)18-8-9-19-10-13-6-7-15-11-16-13/h1-7,11H,8-10H2