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

Systemtic Name: 2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide CAS Name: 2-[(3-cyano-6-propyl-2-pyridinyl)thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(3-cyano-6-propylpyridin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-[(3-cyano-6-propyl-2-pyridyl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]acetamide Formula: C21H20N6O3S2 MolecularWeight: 468.5519

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C21H20N6O3S2/c1-2-4-16-6-5-15(13-22)20(26-16)31-14-19(28)25-17-7-9-18(10-8-17)32(29,30)27-21-23-11-3-12-24-21/h3,5-12H,2,4,14H2,1H3,(H,25,28)(H,23,24,27)