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

Systemtic Name: 2-butoxy-6-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile Openeye Name: 2-butoxy-6-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile CAS Name: 2-butoxy-5-(4-methylsulfonylphenyl)-6-[4-(methylthio)phenyl]-3-pyridinecarbonitrile IUPAC Name: 2-butoxy-6-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile Traditional Name: 2-butoxy-5-(4-mesylphenyl)-6-[4-(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=C(C=C3)SC

Isomeric SMILES

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

InChI

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