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

Systemtic Name: 3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide Openeye Name: 3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]propanamide CAS Name: 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]propanamide IUPAC Name: 3-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide Traditional Name: 3-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]propionamide Formula: C21H21N5O4S2 MolecularWeight: 471.55254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C)C

InChI

InChI=1S/C21H21N5O4S2/c1-13-10-14(2)23-21(18(13)12-22)31-9-8-20(27)24-16-4-6-17(7-5-16)32(28,29)26-19-11-15(3)30-25-19/h4-7,10-11H,8-9H2,1-3H3,(H,24,27)(H,25,26)