2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[2-(4-bromophenyl)sulfonylethylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-(2-brosylethylthio)-1-oxido-pyridin-1-ium Formula: C13H12BrNO3S2 MolecularWeight: 374.27328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCCS(=O)(=O)C2=CC=C(C=C2)Br)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCCS(=O)(=O)C2=CC=C(C=C2)Br)[O-]

InChI

InChI=1S/C13H12BrNO3S2/c14-11-4-6-12(7-5-11)20(17,18)10-9-19-13-3-1-2-8-15(13)16/h1-8H,9-10H2