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

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[3-(diethylcarbamoyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[3-(diethylcarbamoyl)phenyl]pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-[3-[diethylamino(oxo)methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[3-(diethylcarbamoyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-[3-(diethylcarbamoyl)phenyl]nicotinamide Formula: C24H24BrN3O2S MolecularWeight: 498.43526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrN3O2S/c1-3-28(4-2)24(30)18-9-6-11-20(15-18)27-22(29)21-12-7-13-26-23(21)31-16-17-8-5-10-19(25)14-17/h5-15H,3-4,16H2,1-2H3,(H,27,29)