2-(2-oxidanylidene-1-phenyl-5-pyridin-2-yl-pyridin-3-yl)benzenecarbonitrile; sulfuric acid

Systemtic Name: 2-(2-oxidanylidene-1-phenyl-5-pyridin-2-yl-pyridin-3-yl)benzenecarbonitrile; sulfuric acid Openeye Name: 2-[2-oxo-1-phenyl-5-(2-pyridyl)-3-pyridyl]benzonitrile; sulfuric acid CAS Name: 2-[2-oxo-1-phenyl-5-(2-pyridinyl)-3-pyridinyl]benzonitrile; sulfuric acid IUPAC Name: 2-(2-oxo-1-phenyl-5-pyridin-2-ylpyridin-3-yl)benzonitrile; sulfuric acid Traditional Name: 2-[2-keto-1-phenyl-5-(2-pyridyl)-3-pyridyl]benzonitrile; sulfuric acid Formula: C23H17N3O5S MolecularWeight: 447.46318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4.OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4.OS(=O)(=O)O

InChI

InChI=1S/C23H15N3O.H2O4S/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19;1-5(2,3)4/h1-14,16H;(H2,1,2,3,4)