2-methyl-N-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]propanamide

Systemtic Name: 2-methyl-N-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]propanamide Openeye Name: 2-methyl-N-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]propanamide CAS Name: 2-methyl-N-[4-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]phenyl]propanamide IUPAC Name: 2-methyl-N-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]propanamide Traditional Name: 2-methyl-N-[4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]phenyl]propionamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H18N2O3S/c1-12(2)17(21)18-14-8-6-13(7-9-14)15(20)11-23-16-5-3-4-10-19(16)22/h3-10,12H,11H2,1-2H3,(H,18,21)