2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-[[3-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: N-[3-(2-ketopyrrolidino)benzyl]-2-[(5-methylisoxazol-3-yl)methylthio]nicotinamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCC3=CC(=CC=C3)N4CCCC4=O

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCC3=CC(=CC=C3)N4CCCC4=O

InChI

InChI=1S/C22H22N4O3S/c1-15-11-17(25-29-15)14-30-22-19(7-3-9-23-22)21(28)24-13-16-5-2-6-18(12-16)26-10-4-8-20(26)27/h2-3,5-7,9,11-12H,4,8,10,13-14H2,1H3,(H,24,28)