2-[(3-bromophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylcarbonylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylcarbonylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-[3-[oxo(1-pyrrolidinyl)methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-[3-(pyrrolidine-1-carbonyl)phenyl]nicotinamide Formula: C24H22BrN3O2S MolecularWeight: 496.41938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H22BrN3O2S/c25-19-8-3-6-17(14-19)16-31-23-21(10-5-11-26-23)22(29)27-20-9-4-7-18(15-20)24(30)28-12-1-2-13-28/h3-11,14-15H,1-2,12-13,16H2,(H,27,29)