2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-bromophenyl)ethanone

Systemtic Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-bromophenyl)ethanone Openeye Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-bromophenyl)ethanone CAS Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-bromophenyl)ethanone IUPAC Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-bromophenyl)ethanone Traditional Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-bromophenyl)ethanone Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C20H21BrN2O2S/c21-16-3-1-15(2-4-16)17(24)11-26-19-23-22-18(25-19)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2