3-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide

Systemtic Name: 3-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide Openeye Name: 3-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]propanamide CAS Name: 3-[(3-cyano-6-methyl-2-pyridinyl)thio]-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]propanamide IUPAC Name: 3-(3-cyano-6-methylpyridin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide Traditional Name: 3-[(3-cyano-6-methyl-2-pyridyl)thio]-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]propionamide Formula: C20H19N5O4S2 MolecularWeight: 457.52596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C20H19N5O4S2/c1-13-3-4-15(12-21)20(22-13)30-10-9-19(26)23-16-5-7-17(8-6-16)31(27,28)25-18-11-14(2)29-24-18/h3-8,11H,9-10H2,1-2H3,(H,23,26)(H,24,25)