3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C28H24N8O3S2 MolecularWeight: 584.67196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)N)C#N

InChI

InChI=1S/C28H24N8O3S2/c1-2-18-4-6-19(7-5-18)25-22(16-29)26(31)35-27(23(25)17-30)40-15-12-24(37)34-20-8-10-21(11-9-20)41(38,39)36-28-32-13-3-14-33-28/h3-11,13-14H,2,12,15H2,1H3,(H2,31,35)(H,34,37)(H,32,33,36)