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

Systemtic Name: 2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]propanamide IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide Traditional Name: 2-[(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)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O3S2/c1-5-6-7-20-9-8-19(15-26)24(30-20)35-18(4)23(32)29-21-10-12-22(13-11-21)36(33,34)31-25-27-16(2)14-17(3)28-25/h8-14,18H,5-7H2,1-4H3,(H,29,32)(H,27,28,31)