[1-phenyl-2-(phenylsulfanylmethylsulfanyl)pyridin-1-ium-3-yl]methanol bromide

Systemtic Name: [1-phenyl-2-(phenylsulfanylmethylsulfanyl)pyridin-1-ium-3-yl]methanol bromide Openeye Name: [1-phenyl-2-(phenylsulfanylmethylsulfanyl)pyridin-1-ium-3-yl]methanol bromide CAS Name: [1-phenyl-2-[(phenylthio)methylthio]-3-pyridin-1-iumyl]methanol bromide IUPAC Name: [1-phenyl-2-(phenylsulfanylmethylsulfanyl)pyridin-1-ium-3-yl]methanol bromide Traditional Name: [1-phenyl-2-[(phenylthio)methylthio]pyridin-1-ium-3-yl]methanol bromide Formula: C19H18BrNOS2 MolecularWeight: 420.38632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=CC=CC(=C2SCSC3=CC=CC=C3)CO.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=CC=CC(=C2SCSC3=CC=CC=C3)CO.[Br-]

InChI

InChI=1S/C19H18NOS2.BrH/c21-14-16-8-7-13-20(17-9-3-1-4-10-17)19(16)23-15-22-18-11-5-2-6-12-18;/h1-13,21H,14-15H2;1H/q+1;/p-1