2-[(3-bromophenyl)methylsulfanyl]-N-[4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-[4-(2-methoxyethoxy)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-[4-(2-methoxyethoxy)phenyl]nicotinamide Formula: C22H21BrN2O3S MolecularWeight: 473.38274

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

COCCOC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H21BrN2O3S/c1-27-12-13-28-19-9-7-18(8-10-19)25-21(26)20-6-3-11-24-22(20)29-15-16-4-2-5-17(23)14-16/h2-11,14H,12-13,15H2,1H3,(H,25,26)