2-[6-butoxy-5-cyano-2-(3-methylsulfanylphenyl)pyridin-3-yl]benzenesulfonamide

Systemtic Name: 2-[6-butoxy-5-cyano-2-(3-methylsulfanylphenyl)pyridin-3-yl]benzenesulfonamide Openeye Name: 2-[6-butoxy-5-cyano-2-(3-methylsulfanylphenyl)-3-pyridyl]benzenesulfonamide CAS Name: 2-[6-butoxy-5-cyano-2-[3-(methylthio)phenyl]-3-pyridinyl]benzenesulfonamide IUPAC Name: 2-[6-butoxy-5-cyano-2-(3-methylsulfanylphenyl)pyridin-3-yl]benzenesulfonamide Traditional Name: 2-[6-butoxy-5-cyano-2-[3-(methylthio)phenyl]-3-pyridyl]benzenesulfonamide Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=C(C=C1C#N)C2=CC=CC=C2S(=O)(=O)N)C3=CC(=CC=C3)SC

Isomeric SMILES

CCCCOC1=NC(=C(C=C1C#N)C2=CC=CC=C2S(=O)(=O)N)C3=CC(=CC=C3)SC

InChI

InChI=1S/C23H23N3O3S2/c1-3-4-12-29-23-17(15-24)14-20(19-10-5-6-11-21(19)31(25,27)28)22(26-23)16-8-7-9-18(13-16)30-2/h5-11,13-14H,3-4,12H2,1-2H3,(H2,25,27,28)