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

Systemtic Name: 3-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide Openeye Name: 3-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide CAS Name: 3-[(3-cyano-6-methyl-2-pyridinyl)thio]-N-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]propanamide IUPAC Name: 3-(3-cyano-6-methylpyridin-2-yl)sulfanyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide Traditional Name: 3-[(3-cyano-6-methyl-2-pyridyl)thio]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propionamide Formula: C21H20N6O3S2 MolecularWeight: 468.5519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC(=N3)C

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC(=N3)C

InChI

InChI=1S/C21H20N6O3S2/c1-14-3-4-16(13-22)20(24-14)31-12-10-19(28)26-17-5-7-18(8-6-17)32(29,30)27-21-23-11-9-15(2)25-21/h3-9,11H,10,12H2,1-2H3,(H,26,28)(H,23,25,27)