2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-[4-(2-pyridylsulfamoyl)phenyl]acetamide CAS Name: 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-[4-(2-pyridinylsulfamoyl)phenyl]acetamide IUPAC Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-[4-(2-pyridylsulfamoyl)phenyl]acetamide Formula: C23H23N5O3S2 MolecularWeight: 481.59042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3

InChI

InChI=1S/C23H23N5O3S2/c1-16(2)13-19-7-6-17(14-24)23(27-19)32-15-22(29)26-18-8-10-20(11-9-18)33(30,31)28-21-5-3-4-12-25-21/h3-12,16H,13,15H2,1-2H3,(H,25,28)(H,26,29)