2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-[4-(2-pyridylsulfamoyl)phenyl]propanamide CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-[4-(2-pyridinylsulfamoyl)phenyl]propanamide IUPAC Name: 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-[4-(2-pyridylsulfamoyl)phenyl]propionamide Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C

InChI

InChI=1S/C22H21N5O3S2/c1-14-12-15(2)25-22(19(14)13-23)31-16(3)21(28)26-17-7-9-18(10-8-17)32(29,30)27-20-6-4-5-11-24-20/h4-12,16H,1-3H3,(H,24,27)(H,26,28)