[2-(pyridin-4-ylmethylsulfanyl)phenyl] ethanoate

Systemtic Name: [2-(pyridin-4-ylmethylsulfanyl)phenyl] ethanoate Openeye Name: [2-(4-pyridylmethylsulfanyl)phenyl] acetate CAS Name: acetic acid [2-(pyridin-4-ylmethylthio)phenyl] ester IUPAC Name: [2-(pyridin-4-ylmethylsulfanyl)phenyl] acetate Traditional Name: acetic acid [2-(4-pyridylmethylthio)phenyl] ester Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1SCC2=CC=NC=C2

Isomeric SMILES

CC(=O)OC1=CC=CC=C1SCC2=CC=NC=C2

InChI

InChI=1S/C14H13NO2S/c1-11(16)17-13-4-2-3-5-14(13)18-10-12-6-8-15-9-7-12/h2-9H,10H2,1H3