2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C16H18N2O2S2 MolecularWeight: 334.45632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S2/c19-15(13-22-16-8-4-5-10-18(16)20)17-9-11-21-12-14-6-2-1-3-7-14/h1-8,10H,9,11-13H2,(H,17,19)