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

Systemtic Name: 1-(1-adamantyl)-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]ethanone Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(O4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(O4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C21H22N2O4S/c24-18(21-7-12-3-13(8-21)5-14(4-12)9-21)10-28-20-23-22-19(27-20)15-1-2-16-17(6-15)26-11-25-16/h1-2,6,12-14H,3-5,7-11H2