2-[(2-bromanylpyridin-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(2-bromanylpyridin-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(2-bromo-4-pyridyl)methylsulfanyl]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide CAS Name: 2-[(2-bromo-4-pyridinyl)methylthio]-N-(3,4-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-bromopyridin-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(2-bromo-4-pyridyl)methylthio]-N-(3,4-dimethylphenyl)nicotinamide Formula: C20H18BrN3OS MolecularWeight: 428.34542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)Br)C

InChI

InChI=1S/C20H18BrN3OS/c1-13-5-6-16(10-14(13)2)24-19(25)17-4-3-8-23-20(17)26-12-15-7-9-22-18(21)11-15/h3-11H,12H2,1-2H3,(H,24,25)