2-[5-cyano-2-(4-fluorophenyl)-6-phenethylsulfanyl-pyridin-3-yl]benzenesulfonamide

Systemtic Name: 2-[5-cyano-2-(4-fluorophenyl)-6-phenethylsulfanyl-pyridin-3-yl]benzenesulfonamide Openeye Name: 2-[5-cyano-2-(4-fluorophenyl)-6-phenethylsulfanyl-3-pyridyl]benzenesulfonamide CAS Name: 2-[5-cyano-2-(4-fluorophenyl)-6-(phenethylthio)-3-pyridinyl]benzenesulfonamide IUPAC Name: 2-[5-cyano-2-(4-fluorophenyl)-6-phenethylsulfanylpyridin-3-yl]benzenesulfonamide Traditional Name: 2-[5-cyano-2-(4-fluorophenyl)-6-(phenethylthio)-3-pyridyl]benzenesulfonamide Formula: C26H20FN3O2S2 MolecularWeight: 489.584303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC(=C(C=C2C#N)C3=CC=CC=C3S(=O)(=O)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC(=C(C=C2C#N)C3=CC=CC=C3S(=O)(=O)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H20FN3O2S2/c27-21-12-10-19(11-13-21)25-23(22-8-4-5-9-24(22)34(29,31)32)16-20(17-28)26(30-25)33-15-14-18-6-2-1-3-7-18/h1-13,16H,14-15H2,(H2,29,31,32)