2-(1-adamantylsulfanylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(1-adamantylsulfanylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-(1-adamantylsulfanylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[(1-adamantylthio)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-(1-adamantylsulfanylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(1-adamantylthio)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N2O4S/c1-25-17-7-16(8-18(26-2)20(17)27-3)21-24-23-19(28-21)12-29-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-15H,4-6,9-12H2,1-3H3