N-(2-methylsulfanylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-[2-(methylthio)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-[2-(methylthio)phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C15H16N2O2S2 MolecularWeight: 320.42974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H16N2O2S2/c1-11(21-14-9-5-6-10-17(14)19)15(18)16-12-7-3-4-8-13(12)20-2/h3-11H,1-2H3,(H,16,18)