1-(3-bromanyl-4-methoxy-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C14H12BrNO3S MolecularWeight: 354.21898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-])Br

InChI

InChI=1S/C14H12BrNO3S/c1-19-13-6-5-10(8-11(13)15)12(17)9-20-14-4-2-3-7-16(14)18/h2-8H,9H2,1H3