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

Systemtic Name: 3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C21H20N6O3S2 MolecularWeight: 468.5519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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