2-[bis(fluoranyl)methylsulfanyl]-N-[3-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-N-[3-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]pyridine-3-carboxamide Openeye Name: 2-(difluoromethylsulfanyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide CAS Name: 2-(difluoromethylthio)-N-[3-methoxy-4-(2-oxo-1-pyrrolidinyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-(difluoromethylsulfanyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide Traditional Name: 2-(difluoromethylthio)-N-[4-(2-ketopyrrolidino)-3-methoxy-phenyl]nicotinamide Formula: C18H17F2N3O3S MolecularWeight: 393.407686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=C(N=CC=C2)SC(F)F)N3CCCC3=O

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=C(N=CC=C2)SC(F)F)N3CCCC3=O

InChI

InChI=1S/C18H17F2N3O3S/c1-26-14-10-11(6-7-13(14)23-9-3-5-15(23)24)22-16(25)12-4-2-8-21-17(12)27-18(19)20/h2,4,6-8,10,18H,3,5,9H2,1H3,(H,22,25)