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

Systemtic Name: 2-[(4-bromophenyl)sulfanylmethyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(4-bromophenyl)sulfanylmethyl]-1-oxido-pyridin-1-ium CAS Name: 2-[[(4-bromophenyl)thio]methyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[(4-bromophenyl)sulfanylmethyl]-1-oxidopyridin-1-ium Traditional Name: 2-[[(4-bromophenyl)thio]methyl]-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)CSC2=CC=C(C=C2)Br)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)CSC2=CC=C(C=C2)Br)[O-]

InChI

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