N-[3-chloranyl-9,10-bis(oxidanylidene)anthracen-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-chloranyl-9,10-bis(oxidanylidene)anthracen-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-9,10-dioxo-2-anthryl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-9,10-dioxo-2-anthracenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-9,10-diketo-2-anthryl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C21H13ClN2O4S MolecularWeight: 424.85692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)Cl)NC(=O)CSC4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)Cl)NC(=O)CSC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C21H13ClN2O4S/c22-16-9-14-15(21(27)13-6-2-1-5-12(13)20(14)26)10-17(16)23-18(25)11-29-19-7-3-4-8-24(19)28/h1-10H,11H2,(H,23,25)