N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(9,10-dioxo-1-anthryl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(9,10-dioxo-1-anthracenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(9,10-dioxoanthracen-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(9,10-diketo-1-anthryl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C21H14N2O4S MolecularWeight: 390.41186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CSC4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CSC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C21H14N2O4S/c24-17(12-28-18-10-3-4-11-23(18)27)22-16-9-5-8-15-19(16)21(26)14-7-2-1-6-13(14)20(15)25/h1-11H,12H2,(H,22,24)