2-[(3-bromophenyl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(3-bromophenyl)methylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[(3-bromobenzyl)thio]-1-oxido-pyridin-1-ium Formula: C12H10BrNOS MolecularWeight: 296.1829

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC2=CC(=CC=C2)Br)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC2=CC(=CC=C2)Br)[O-]

InChI

InChI=1S/C12H10BrNOS/c13-11-5-3-4-10(8-11)9-16-12-6-1-2-7-14(12)15/h1-8H,9H2