7-isothiocyanatopyridazino[1,2-a]cinnoline; 2-pyridin-2-ylpyridine; ruthenium(2+); dihexafluorophosphate

Systemtic Name: 7-isothiocyanatopyridazino[1,2-a]cinnoline; 2-pyridin-2-ylpyridine; ruthenium(2+); dihexafluorophosphate Openeye Name: 7-isothiocyanatopyridazino[1,2-a]cinnoline; 2-(2-pyridyl)pyridine; ruthenium(2+); dihexafluorophosphate CAS Name: 7-isothiocyanatopyridazino[1,2-a]cinnoline; 2-(2-pyridinyl)pyridine; ruthenium(2+); dihexafluorophosphate IUPAC Name: 7-isothiocyanatopyridazino[1,2-a]cinnoline; 2-pyridin-2-ylpyridine; ruthenium(2+); dihexafluorophosphate Traditional Name: 7-isothiocyanatopyridazino[1,2-a]cinnoline; 2-(2-pyridyl)pyridine; ruthenium(2+); dihexafluorophosphate Formula: C33H25F12N7P2RuS MolecularWeight: 942.66186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN3N2C=CC=C3)N=C=S.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN3N2C=CC=C3)N=C=S.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]

InChI

InChI=1S/C13H9N3S.2C10H8N2.2F6P.Ru/c17-10-14-12-9-15-7-3-4-8-16(15)13-6-2-1-5-11(12)13;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h1-9H;2*1-8H;;;/q;;;2*-1;+2