2-[[2-(2-fluoranylethoxy)-4-methoxy-phenyl]methylsulfanyl]-N-pyridin-4-yl-pyridine-3-carboxamide

Systemtic Name: 2-[[2-(2-fluoranylethoxy)-4-methoxy-phenyl]methylsulfanyl]-N-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 2-[[2-(2-fluoroethoxy)-4-methoxy-phenyl]methylsulfanyl]-N-(4-pyridyl)pyridine-3-carboxamide CAS Name: 2-[[2-(2-fluoroethoxy)-4-methoxyphenyl]methylthio]-N-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 2-[[2-(2-fluoroethoxy)-4-methoxyphenyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-[[2-(2-fluoroethoxy)-4-methoxy-benzyl]thio]-N-(4-pyridyl)nicotinamide Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3)OCCF

Isomeric SMILES

COC1=CC(=C(C=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3)OCCF

InChI

InChI=1S/C21H20FN3O3S/c1-27-17-5-4-15(19(13-17)28-12-8-22)14-29-21-18(3-2-9-24-21)20(26)25-16-6-10-23-11-7-16/h2-7,9-11,13H,8,12,14H2,1H3,(H,23,25,26)