2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: N-[4-(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=C(C=C3)N4CCCC4=O

Isomeric SMILES

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

InChI

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