N-[5-cyano-2-(4-fluorophenyl)-6-prop-2-enylsulfanyl-pyridin-3-yl]benzenesulfonamide

Systemtic Name: N-[5-cyano-2-(4-fluorophenyl)-6-prop-2-enylsulfanyl-pyridin-3-yl]benzenesulfonamide Openeye Name: N-[6-allylsulfanyl-5-cyano-2-(4-fluorophenyl)-3-pyridyl]benzenesulfonamide CAS Name: N-[5-cyano-2-(4-fluorophenyl)-6-(prop-2-enylthio)-3-pyridinyl]benzenesulfonamide IUPAC Name: N-[5-cyano-2-(4-fluorophenyl)-6-prop-2-enylsulfanylpyridin-3-yl]benzenesulfonamide Traditional Name: N-[6-(allylthio)-5-cyano-2-(4-fluorophenyl)-3-pyridyl]benzenesulfonamide Formula: C21H16FN3O2S2 MolecularWeight: 425.499043

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=C(C=C1C#N)NS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C=CCSC1=NC(=C(C=C1C#N)NS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H16FN3O2S2/c1-2-12-28-21-16(14-23)13-19(20(24-21)15-8-10-17(22)11-9-15)25-29(26,27)18-6-4-3-5-7-18/h2-11,13,25H,1,12H2