N-(5-methyl-2-pyridin-2-yl-1H-pyrazol-2-ium-3-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(5-methyl-2-pyridin-2-yl-1H-pyrazol-2-ium-3-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-[5-methyl-2-(2-pyridyl)-1H-pyrazol-2-ium-3-yl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[5-methyl-2-(2-pyridinyl)-1H-pyrazol-2-ium-3-yl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(5-methyl-2-pyridin-2-yl-1H-pyrazol-2-ium-3-yl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-[5-methyl-2-(2-pyridyl)-1H-pyrazol-2-ium-3-yl]thioxanthene-3-carboxamide Formula: C23H17N4O4S+ MolecularWeight: 445.47048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)C2=CC=CC=N2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

CC1=CC(=[N+](N1)C2=CC=CC=N2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C23H16N4O4S/c1-14-12-21(27(26-14)20-8-4-5-11-24-20)25-23(29)15-9-10-17-19(13-15)32(30,31)18-7-3-2-6-16(18)22(17)28/h2-13H,1H3,(H,25,26,29)/p+1