5-cyano-2-methyl-6-[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 5-cyano-2-methyl-6-[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 5-cyano-6-[2-(3-isopropoxypropylamino)-2-oxo-ethyl]sulfanyl-2-methyl-N-phenyl-pyridine-3-carboxamide CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thio]-N-phenyl-3-pyridinecarboxamide IUPAC Name: 5-cyano-2-methyl-6-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide Traditional Name: 5-cyano-6-[[2-(3-isopropoxypropylamino)-2-keto-ethyl]thio]-2-methyl-N-phenyl-nicotinamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)NCCCOC(C)C)C#N)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)NCCCOC(C)C)C#N)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H26N4O3S/c1-15(2)29-11-7-10-24-20(27)14-30-22-17(13-23)12-19(16(3)25-22)21(28)26-18-8-5-4-6-9-18/h4-6,8-9,12,15H,7,10-11,14H2,1-3H3,(H,24,27)(H,26,28)