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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(O4)C5=CC(=CC=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(O4)C5=CC(=CC=C5)Br

InChI

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