3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide Traditional Name: 3-[(6-butyl-3-cyano-2-pyridyl)thio]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propionamide Formula: C25H28N6O3S2 MolecularWeight: 524.65822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C25H28N6O3S2/c1-4-5-6-20-8-7-19(16-26)24(30-20)35-14-13-23(32)29-21-9-11-22(12-10-21)36(33,34)31-25-27-17(2)15-18(3)28-25/h7-12,15H,4-6,13-14H2,1-3H3,(H,29,32)(H,27,28,31)