S-[(4-bromanylpyridin-2-yl)methyl] ethanethioate

Systemtic Name: S-[(4-bromanylpyridin-2-yl)methyl] ethanethioate Openeye Name: S-[(4-bromo-2-pyridyl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(4-bromo-2-pyridinyl)methyl] ester IUPAC Name: S-[(4-bromopyridin-2-yl)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(4-bromo-2-pyridyl)methyl] ester Formula: C8H8BrNOS MolecularWeight: 246.12422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=NC=CC(=C1)Br

Isomeric SMILES

CC(=O)SCC1=NC=CC(=C1)Br

InChI

InChI=1S/C8H8BrNOS/c1-6(11)12-5-8-4-7(9)2-3-10-8/h2-4H,5H2,1H3