1-(4-bromophenyl)-2-pyridin-1-ium-2-ylsulfanyl-ethanone

Systemtic Name: 1-(4-bromophenyl)-2-pyridin-1-ium-2-ylsulfanyl-ethanone Openeye Name: 1-(4-bromophenyl)-2-pyridin-1-ium-2-ylsulfanyl-ethanone CAS Name: 1-(4-bromophenyl)-2-(2-pyridin-1-iumylthio)ethanone IUPAC Name: 1-(4-bromophenyl)-2-pyridin-1-ium-2-ylsulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-(pyridin-1-ium-2-ylthio)ethanone Formula: C13H11BrNOS+ MolecularWeight: 309.20154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)SCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC=[NH+]C(=C1)SCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H10BrNOS/c14-11-6-4-10(5-7-11)12(16)9-17-13-3-1-2-8-15-13/h1-8H,9H2/p+1