2-[(5-bromanyl-2,4-dimethoxy-phenyl)methylsulfanyl]-N-pyridin-4-yl-pyridine-3-carboxamide

Systemtic Name: 2-[(5-bromanyl-2,4-dimethoxy-phenyl)methylsulfanyl]-N-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 2-[(5-bromo-2,4-dimethoxy-phenyl)methylsulfanyl]-N-(4-pyridyl)pyridine-3-carboxamide CAS Name: 2-[(5-bromo-2,4-dimethoxyphenyl)methylthio]-N-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 2-[(5-bromo-2,4-dimethoxyphenyl)methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-[(5-bromo-2,4-dimethoxy-benzyl)thio]-N-(4-pyridyl)nicotinamide Formula: C20H18BrN3O3S MolecularWeight: 460.34422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3)Br)OC

InChI

InChI=1S/C20H18BrN3O3S/c1-26-17-11-18(27-2)16(21)10-13(17)12-28-20-15(4-3-7-23-20)19(25)24-14-5-8-22-9-6-14/h3-11H,12H2,1-2H3,(H,22,24,25)