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

Systemtic Name: 2-[(4-bromophenyl)sulfanylmethyl]-1-oxidanidyl-pyridin-1-ium chloride Openeye Name: 2-[(4-bromophenyl)sulfanylmethyl]-1-oxido-pyridin-1-ium chloride CAS Name: 2-[[(4-bromophenyl)thio]methyl]-1-oxidopyridin-1-ium chloride IUPAC Name: 2-[(4-bromophenyl)sulfanylmethyl]-1-oxidopyridin-1-ium chloride Traditional Name: 2-[[(4-bromophenyl)thio]methyl]-1-oxido-pyridin-1-ium chloride Formula: C12H10BrClNOS- MolecularWeight: 331.6359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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