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

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[2-[(4-bromophenyl)thio]ethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[2-[(4-bromophenyl)thio]ethyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C15H15BrN2O2S2 MolecularWeight: 399.3258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NCCSC2=CC=C(C=C2)Br)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NCCSC2=CC=C(C=C2)Br)[O-]

InChI

InChI=1S/C15H15BrN2O2S2/c16-12-4-6-13(7-5-12)21-10-8-17-14(19)11-22-15-3-1-2-9-18(15)20/h1-7,9H,8,10-11H2,(H,17,19)