2-[6-butoxy-5-cyano-2-(4-methylsulfanylphenyl)pyridin-3-yl]benzenesulfonamide

Systemtic Name: 2-[6-butoxy-5-cyano-2-(4-methylsulfanylphenyl)pyridin-3-yl]benzenesulfonamide Openeye Name: 2-[6-butoxy-5-cyano-2-(4-methylsulfanylphenyl)-3-pyridyl]benzenesulfonamide CAS Name: 2-[6-butoxy-5-cyano-2-[4-(methylthio)phenyl]-3-pyridinyl]benzenesulfonamide IUPAC Name: 2-[6-butoxy-5-cyano-2-(4-methylsulfanylphenyl)pyridin-3-yl]benzenesulfonamide Traditional Name: 2-[6-butoxy-5-cyano-2-[4-(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=C(C=C3)SC

Isomeric SMILES

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

InChI

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