2-[(3-bromophenyl)methylsulfanyl]-N-(2,2-diethoxyethyl)pyridine-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2,2-diethoxyethyl)pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2,2-diethoxyethyl)pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-(2,2-diethoxyethyl)-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2,2-diethoxyethyl)pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-(2,2-diethoxyethyl)nicotinamide Formula: C19H23BrN2O3S MolecularWeight: 439.36652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CNC(=O)C1=C(N=CC=C1)SCC2=CC(=CC=C2)Br)OCC

Isomeric SMILES

CCOC(CNC(=O)C1=C(N=CC=C1)SCC2=CC(=CC=C2)Br)OCC

InChI

InChI=1S/C19H23BrN2O3S/c1-3-24-17(25-4-2)12-22-18(23)16-9-6-10-21-19(16)26-13-14-7-5-8-15(20)11-14/h5-11,17H,3-4,12-13H2,1-2H3,(H,22,23)