1-(3-bromophenyl)-5-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(3-bromophenyl)-5-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-(3-bromophenyl)-5-oxo-N-[4-(3-pyridylmethylsulfanyl)phenyl]pyrrolidine-3-carboxamide CAS Name: 1-(3-bromophenyl)-5-oxo-N-[4-(3-pyridinylmethylthio)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(3-bromophenyl)-5-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 1-(3-bromophenyl)-5-keto-N-[4-(3-pyridylmethylthio)phenyl]pyrrolidine-3-carboxamide Formula: C23H20BrN3O2S MolecularWeight: 482.3928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC(=CC=C2)Br)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1C(CN(C1=O)C2=CC(=CC=C2)Br)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C23H20BrN3O2S/c24-18-4-1-5-20(12-18)27-14-17(11-22(27)28)23(29)26-19-6-8-21(9-7-19)30-15-16-3-2-10-25-13-16/h1-10,12-13,17H,11,14-15H2,(H,26,29)