N-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-3-(phenylthio)propanamide IUPAC Name: N-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]-3-(phenylthio)propionamide Formula: C16H16N2O3S2 MolecularWeight: 348.43984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S2/c19-14(9-11-22-13-6-2-1-3-7-13)17-15(20)12-23-16-8-4-5-10-18(16)21/h1-8,10H,9,11-12H2,(H,17,19,20)