2-(1-adamantyl)-5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(1-adamantyl)-5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1-adamantyl)-5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(1-adamantyl)-5-[(3-fluoro-4-methoxyphenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1-adamantyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1-adamantyl)-5-[(3-fluoro-4-methoxy-benzyl)thio]-1,3,4-oxadiazole Formula: C20H23FN2O2S MolecularWeight: 374.472223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4)F

InChI

InChI=1S/C20H23FN2O2S/c1-24-17-3-2-12(7-16(17)21)11-26-19-23-22-18(25-19)20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15H,4-6,8-11H2,1H3