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

Systemtic Name: 3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide Openeye Name: 3-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide CAS Name: 3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]-N-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]propanamide IUPAC Name: 3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide Traditional Name: 3-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propionamide Formula: C27H24N6O3S2 MolecularWeight: 544.64786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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