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

Systemtic Name: 3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: 3-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C31H24N6O3S2 MolecularWeight: 592.69066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C31H24N6O3S2/c32-21-27-26(22-8-3-1-4-9-22)20-28(23-10-5-2-6-11-23)36-30(27)41-19-16-29(38)35-24-12-14-25(15-13-24)42(39,40)37-31-33-17-7-18-34-31/h1-15,17-18,20H,16,19H2,(H,35,38)(H,33,34,37)