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

Systemtic Name: 3-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-[(3-cyano-6-isopropyl-2-pyridyl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(3-cyano-6-propan-2-ylpyridin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-[(3-cyano-6-isopropyl-2-pyridyl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C22H22N6O3S2 MolecularWeight: 482.57848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O3S2/c1-15(2)19-9-4-16(14-23)21(27-19)32-13-10-20(29)26-17-5-7-18(8-6-17)33(30,31)28-22-24-11-3-12-25-22/h3-9,11-12,15H,10,13H2,1-2H3,(H,26,29)(H,24,25,28)