2-[1-(4-methylsulfanylphenyl)-2-oxidanylidene-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile

Systemtic Name: 2-[1-(4-methylsulfanylphenyl)-2-oxidanylidene-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile Openeye Name: 2-[1-(4-methylsulfanylphenyl)-2-oxo-5-(2-pyridyl)-3-pyridyl]benzonitrile CAS Name: 2-[1-[4-(methylthio)phenyl]-2-oxo-5-(2-pyridinyl)-3-pyridinyl]benzonitrile IUPAC Name: 2-[1-(4-methylsulfanylphenyl)-2-oxo-5-pyridin-2-ylpyridin-3-yl]benzonitrile Traditional Name: 2-[2-keto-1-[4-(methylthio)phenyl]-5-(2-pyridyl)-3-pyridyl]benzonitrile Formula: C24H17N3OS MolecularWeight: 395.47628

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4

Isomeric SMILES

CSC1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4

InChI

InChI=1S/C24H17N3OS/c1-29-20-11-9-19(10-12-20)27-16-18(23-8-4-5-13-26-23)14-22(24(27)28)21-7-3-2-6-17(21)15-25/h2-14,16H,1H3