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

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]sulfanyl]-N-[4-(2-pyridylsulfamoyl)phenyl]propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]thio]-N-[4-(2-pyridinylsulfamoyl)phenyl]propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]thio]-N-[4-(2-pyridylsulfamoyl)phenyl]propionamide Formula: C28H23N7O3S2 MolecularWeight: 569.65732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4)N)C#N

InChI

InChI=1S/C28H23N7O3S2/c1-18-5-7-19(8-6-18)26-22(16-29)27(31)34-28(23(26)17-30)39-15-13-25(36)33-20-9-11-21(12-10-20)40(37,38)35-24-4-2-3-14-32-24/h2-12,14H,13,15H2,1H3,(H2,31,34)(H,32,35)(H,33,36)