2-[bis(fluoranyl)methylsulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide Openeye Name: 2-(difluoromethylsulfanyl)-N-[4-methoxy-3-(4-pyridylmethoxy)phenyl]benzamide CAS Name: 2-(difluoromethylthio)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide IUPAC Name: 2-(difluoromethylsulfanyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide Traditional Name: 2-(difluoromethylthio)-N-[4-methoxy-3-(4-pyridylmethoxy)phenyl]benzamide Formula: C21H18F2N2O3S MolecularWeight: 416.441026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SC(F)F)OCC3=CC=NC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SC(F)F)OCC3=CC=NC=C3

InChI

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