N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-[2-(p-tolylthio)ethyl]acetamide Formula: C16H18N2O2S2 MolecularWeight: 334.45632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H18N2O2S2/c1-13-5-7-14(8-6-13)21-11-9-17-15(19)12-22-16-4-2-3-10-18(16)20/h2-8,10H,9,11-12H2,1H3,(H,17,19)