methyl 4-[(5-bromanylpyridin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5-bromanylpyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-bromo-2-pyridyl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-bromo-2-pyridinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromopyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-bromo-2-pyridyl)thio]methyl]benzoic acid methyl ester Formula: C14H12BrNO2S MolecularWeight: 338.21958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC=C(C=C2)Br

InChI

InChI=1S/C14H12BrNO2S/c1-18-14(17)11-4-2-10(3-5-11)9-19-13-7-6-12(15)8-16-13/h2-8H,9H2,1H3