2-butoxy-6-(3-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-butoxy-6-(3-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile Openeye Name: 2-butoxy-6-(3-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile CAS Name: 2-butoxy-5-(4-methylsulfonylphenyl)-6-[3-(methylthio)phenyl]-3-pyridinecarbonitrile IUPAC Name: 2-butoxy-6-(3-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile Traditional Name: 2-butoxy-5-(4-mesylphenyl)-6-[3-(methylthio)phenyl]nicotinonitrile Formula: C24H24N2O3S2 MolecularWeight: 452.58896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=C(C=C1C#N)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=CC=C3)SC

Isomeric SMILES

CCCCOC1=NC(=C(C=C1C#N)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=CC=C3)SC

InChI

InChI=1S/C24H24N2O3S2/c1-4-5-13-29-24-19(16-25)15-22(17-9-11-21(12-10-17)31(3,27)28)23(26-24)18-7-6-8-20(14-18)30-2/h6-12,14-15H,4-5,13H2,1-3H3