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

Systemtic Name: 4-methylbenzenesulfonic acid; 2-(2-oxidanylidene-1-phenyl-5-pyridin-2-yl-pyridin-3-yl)benzenecarbonitrile Openeye Name: 4-methylbenzenesulfonic acid; 2-[2-oxo-1-phenyl-5-(2-pyridyl)-3-pyridyl]benzonitrile CAS Name: 4-methylbenzenesulfonic acid; 2-[2-oxo-1-phenyl-5-(2-pyridinyl)-3-pyridinyl]benzonitrile IUPAC Name: 4-methylbenzenesulfonic acid; 2-(2-oxo-1-phenyl-5-pyridin-2-ylpyridin-3-yl)benzonitrile Traditional Name: 2-[2-keto-1-phenyl-5-(2-pyridyl)-3-pyridyl]benzonitrile; tosylic acid Formula: C30H23N3O4S MolecularWeight: 521.58632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4

InChI

InChI=1S/C23H15N3O.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h1-14,16H;2-5H,1H3,(H,8,9,10)