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

Systemtic Name: 3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: 3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: 3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C23H24N6O3S2 MolecularWeight: 496.60506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N6O3S2/c1-16(2)14-19-5-4-17(15-24)22(28-19)33-13-10-21(30)27-18-6-8-20(9-7-18)34(31,32)29-23-25-11-3-12-26-23/h3-9,11-12,16H,10,13-14H2,1-2H3,(H,27,30)(H,25,26,29)