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

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]-N-[4-(2-pyridylsulfamoyl)phenyl]propanamide CAS Name: 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-N-[4-(2-pyridinylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]-N-[4-(2-pyridylsulfamoyl)phenyl]propionamide Formula: C27H21N7O3S2 MolecularWeight: 555.63074

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C27H21N7O3S2/c28-16-21-25(18-6-2-1-3-7-18)22(17-29)27(33-26(21)30)38-15-13-24(35)32-19-9-11-20(12-10-19)39(36,37)34-23-8-4-5-14-31-23/h1-12,14H,13,15H2,(H2,30,33)(H,31,34)(H,32,35)