2-[bis(fluoranyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]pyridine-3-carboxamide Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide CAS Name: 2-(difluoromethylthio)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-(difluoromethylsulfanyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide Traditional Name: N-(4-benzoxy-3-methoxy-benzyl)-2-(difluoromethylthio)nicotinamide Formula: C22H20F2N2O3S MolecularWeight: 430.467606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C2=C(N=CC=C2)SC(F)F)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C2=C(N=CC=C2)SC(F)F)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20F2N2O3S/c1-28-19-12-16(9-10-18(19)29-14-15-6-3-2-4-7-15)13-26-20(27)17-8-5-11-25-21(17)30-22(23)24/h2-12,22H,13-14H2,1H3,(H,26,27)