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

Systemtic Name: 3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: 3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: 3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C26H22N6O3S2 MolecularWeight: 530.62128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C26H22N6O3S2/c1-18-3-5-19(6-4-18)23-12-7-20(17-27)25(31-23)36-16-13-24(33)30-21-8-10-22(11-9-21)37(34,35)32-26-28-14-2-15-29-26/h2-12,14-15H,13,16H2,1H3,(H,30,33)(H,28,29,32)