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

Systemtic Name: 2-[(2-ethoxy-4-methoxy-phenyl)methylsulfanyl]-N-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 2-[(2-ethoxy-4-methoxy-phenyl)methylsulfanyl]-N-(4-pyridyl)pyridine-3-carboxamide CAS Name: 2-[(2-ethoxy-4-methoxyphenyl)methylthio]-N-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 2-[(2-ethoxy-4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-[(2-ethoxy-4-methoxy-benzyl)thio]-N-(4-pyridyl)nicotinamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)OC)CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)OC)CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3

InChI

InChI=1S/C21H21N3O3S/c1-3-27-19-13-17(26-2)7-6-15(19)14-28-21-18(5-4-10-23-21)20(25)24-16-8-11-22-12-9-16/h4-13H,3,14H2,1-2H3,(H,22,24,25)