3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

Systemtic Name: 3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide Openeye Name: 3-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide CAS Name: 3-[(3-cyano-6-phenyl-2-pyridinyl)thio]-N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]propanamide IUPAC Name: 3-(3-cyano-6-phenylpyridin-2-yl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide Traditional Name: 3-[(3-cyano-6-phenyl-2-pyridyl)thio]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propionamide Formula: C27H24N6O3S2 MolecularWeight: 544.64786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=C(C=CC(=N3)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=C(C=CC(=N3)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C27H24N6O3S2/c1-18-16-19(2)30-27(29-18)33-38(35,36)23-11-9-22(10-12-23)31-25(34)14-15-37-26-21(17-28)8-13-24(32-26)20-6-4-3-5-7-20/h3-13,16H,14-15H2,1-2H3,(H,31,34)(H,29,30,33)