1-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidino]-2-(phenylthio)ethanone Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=CC=CC=C2)C3=NC(=NO3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=CC=CC=C2)C3=NC(=NO3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H18BrN3O2S/c21-15-10-8-14(9-11-15)19-22-20(26-23-19)17-7-4-12-24(17)18(25)13-27-16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-13H2