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

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(9,10-dioxo-2-anthryl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(9,10-dioxo-2-anthracenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(9,10-dioxoanthracen-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(9,10-diketo-2-anthryl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)SC4=CC=CC=[N+]4[O-]

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)SC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C22H16N2O4S/c1-13(29-19-8-4-5-11-24(19)28)22(27)23-14-9-10-17-18(12-14)21(26)16-7-3-2-6-15(16)20(17)25/h2-13H,1H3,(H,23,27)