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

Systemtic Name: 2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: 2-[(3-cyano-6-methyl-2-pyridinyl)thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: 2-(3-cyano-6-methylpyridin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 2-[(3-cyano-6-methyl-2-pyridyl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C20H18N6O3S2 MolecularWeight: 454.52532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O3S2/c1-13-4-5-15(12-21)19(24-13)30-14(2)18(27)25-16-6-8-17(9-7-16)31(28,29)26-20-22-10-3-11-23-20/h3-11,14H,1-2H3,(H,25,27)(H,22,23,26)