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

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2,2-dimethoxyethyl)pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2,2-dimethoxyethyl)pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-(2,2-dimethoxyethyl)-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2,2-dimethoxyethyl)pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-(2,2-dimethoxyethyl)nicotinamide Formula: C17H19BrN2O3S MolecularWeight: 411.31336

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=O)C1=C(N=CC=C1)SCC2=CC(=CC=C2)Br)OC

Isomeric SMILES

COC(CNC(=O)C1=C(N=CC=C1)SCC2=CC(=CC=C2)Br)OC

InChI

InChI=1S/C17H19BrN2O3S/c1-22-15(23-2)10-20-16(21)14-7-4-8-19-17(14)24-11-12-5-3-6-13(18)9-12/h3-9,15H,10-11H2,1-2H3,(H,20,21)