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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]butanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]butyramide Formula: C29H26N8O3S2 MolecularWeight: 598.69854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H26N8O3S2/c1-3-18-6-8-19(9-7-18)25-22(16-30)26(32)36-28(23(25)17-31)41-24(4-2)27(38)35-20-10-12-21(13-11-20)42(39,40)37-29-33-14-5-15-34-29/h5-15,24H,3-4H2,1-2H3,(H2,32,36)(H,35,38)(H,33,34,37)