N-[2-methylsulfanyl-4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]ethanamide

Systemtic Name: N-[2-methylsulfanyl-4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]ethanamide Openeye Name: N-[2-methylsulfanyl-4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]acetamide CAS Name: N-[2-(methylthio)-4-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]phenyl]acetamide IUPAC Name: N-[2-methylsulfanyl-4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]acetamide Traditional Name: N-[2-(methylthio)-4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]phenyl]acetamide Formula: C16H16N2O3S2 MolecularWeight: 348.43984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S2/c1-11(19)17-13-7-6-12(9-15(13)22-2)14(20)10-23-16-5-3-4-8-18(16)21/h3-9H,10H2,1-2H3,(H,17,19)