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

Systemtic Name: 2-[[3,5-bis(bromanyl)-2-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 2-[[3,5-dibromo-2-(dimethylamino)phenyl]methylsulfanyl]-N-(4-pyridyl)pyridine-3-carboxamide CAS Name: 2-[[3,5-dibromo-2-(dimethylamino)phenyl]methylthio]-N-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 2-[[3,5-dibromo-2-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-[[3,5-dibromo-2-(dimethylamino)benzyl]thio]-N-(4-pyridyl)nicotinamide Formula: C20H18Br2N4OS MolecularWeight: 522.25612

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3)Br)Br

Isomeric SMILES

CN(C)C1=C(C=C(C=C1CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3)Br)Br

InChI

InChI=1S/C20H18Br2N4OS/c1-26(2)18-13(10-14(21)11-17(18)22)12-28-20-16(4-3-7-24-20)19(27)25-15-5-8-23-9-6-15/h3-11H,12H2,1-2H3,(H,23,25,27)