1-(4-bromophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(4-bromophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(4-bromophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propan-1-one CAS Name: 1-(4-bromophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropan-1-one Traditional Name: 1-(4-bromophenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propan-1-one Formula: C14H12BrNO2S MolecularWeight: 338.21958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)SC2=CC=CC=[N+]2[O-]

InChI

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