1-(1-oxidanidylpyridin-1-ium-2-yl)-2-phenylsulfanyl-ethanol

Systemtic Name: 1-(1-oxidanidylpyridin-1-ium-2-yl)-2-phenylsulfanyl-ethanol Openeye Name: 1-(1-oxidopyridin-1-ium-2-yl)-2-phenylsulfanyl-ethanol CAS Name: 1-(1-oxido-2-pyridin-1-iumyl)-2-(phenylthio)ethanol IUPAC Name: 1-(1-oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol Traditional Name: 1-(1-oxidopyridin-1-ium-2-yl)-2-(phenylthio)ethanol Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(C2=CC=CC=[N+]2[O-])O

Isomeric SMILES

C1=CC=C(C=C1)SCC(C2=CC=CC=[N+]2[O-])O

InChI

InChI=1S/C13H13NO2S/c15-13(12-8-4-5-9-14(12)16)10-17-11-6-2-1-3-7-11/h1-9,13,15H,10H2