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

Systemtic Name: 2-(1-adamantyl)-5-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1-adamantyl)-5-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(1-adamantyl)-5-[(5-chloro-2-methoxyphenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1-adamantyl)-5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1-adamantyl)-5-[(5-chloro-2-methoxy-benzyl)thio]-1,3,4-oxadiazole Formula: C20H23ClN2O2S MolecularWeight: 390.92682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O2S/c1-24-17-3-2-16(21)7-15(17)11-26-19-23-22-18(25-19)20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,12-14H,4-6,8-11H2,1H3