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

Systemtic Name: 3-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide Openeye Name: 3-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]sulfanyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide CAS Name: 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]thio]-N-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]propanamide IUPAC Name: 3-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide Traditional Name: 3-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]thio]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propionamide Formula: C33H28N6O3S2 MolecularWeight: 620.74382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC(=N4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC(=N4)C)C5=CC=CC=C5

InChI

InChI=1S/C33H28N6O3S2/c1-22-8-10-24(11-9-22)28-20-30(25-6-4-3-5-7-25)38-32(29(28)21-34)43-19-17-31(40)37-26-12-14-27(15-13-26)44(41,42)39-33-35-18-16-23(2)36-33/h3-16,18,20H,17,19H2,1-2H3,(H,37,40)(H,35,36,39)