N-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-methyl-1,3-dioxo-isoindolin-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2-methyl-1,3-dioxo-5-isoindolyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(1,3-diketo-2-methyl-isoindolin-5-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H13N3O4S/c1-18-15(21)11-6-5-10(8-12(11)16(18)22)17-13(20)9-24-14-4-2-3-7-19(14)23/h2-8H,9H2,1H3,(H,17,20)