2-[(7-bromanylquinolin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(7-bromanylquinolin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(7-bromo-4-quinolyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide CAS Name: 2-[(7-bromo-4-quinolinyl)methylthio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(7-bromoquinolin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(7-bromo-4-quinolyl)methylthio]-N-(3,5-dimethylphenyl)nicotinamide Formula: C24H20BrN3OS MolecularWeight: 478.4041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=C4C=CC(=CC4=NC=C3)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=C4C=CC(=CC4=NC=C3)Br)C

InChI

InChI=1S/C24H20BrN3OS/c1-15-10-16(2)12-19(11-15)28-23(29)21-4-3-8-27-24(21)30-14-17-7-9-26-22-13-18(25)5-6-20(17)22/h3-13H,14H2,1-2H3,(H,28,29)