N-[4-[3,6-bis(oxidanylidene)pyridazin-1-ium-1-yl]-6-methyl-pyrimidin-2-yl]benzenesulfonamide

Systemtic Name: N-[4-[3,6-bis(oxidanylidene)pyridazin-1-ium-1-yl]-6-methyl-pyrimidin-2-yl]benzenesulfonamide Openeye Name: N-[4-(3,6-dioxopyridazin-1-ium-1-yl)-6-methyl-pyrimidin-2-yl]benzenesulfonamide CAS Name: N-[4-(3,6-dioxo-1-pyridazin-1-iumyl)-6-methyl-2-pyrimidinyl]benzenesulfonamide IUPAC Name: N-[4-(3,6-dioxopyridazin-1-ium-1-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide Traditional Name: N-[4-(3,6-diketopyridazin-1-ium-1-yl)-6-methyl-pyrimidin-2-yl]benzenesulfonamide Formula: C15H12N5O4S+ MolecularWeight: 358.35188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=CC=C2)[N+]3=NC(=O)C=CC3=O

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=CC=C2)[N+]3=NC(=O)C=CC3=O

InChI

InChI=1S/C15H12N5O4S/c1-10-9-12(20-14(22)8-7-13(21)18-20)17-15(16-10)19-25(23,24)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,19)/q+1