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

Systemtic Name: N-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-(difluoromethoxy)-3-methoxy-benzyl]-2-(phenylthio)nicotinamide Formula: C21H18F2N2O3S MolecularWeight: 416.441026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)OC(F)F

InChI

InChI=1S/C21H18F2N2O3S/c1-27-18-12-14(9-10-17(18)28-21(22)23)13-25-19(26)16-8-5-11-24-20(16)29-15-6-3-2-4-7-15/h2-12,21H,13H2,1H3,(H,25,26)