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

Systemtic Name: 5-(1-adamantylsulfanylmethyl)-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole Openeye Name: 5-(1-adamantylsulfanylmethyl)-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole CAS Name: 5-[(1-adamantylthio)methyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole IUPAC Name: 5-(1-adamantylsulfanylmethyl)-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-[(1-adamantylthio)methyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NOC(=N2)CSC34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NOC(=N2)CSC34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C21H26N2O3S/c1-24-16-3-4-17(18(8-16)25-2)20-22-19(26-23-20)12-27-21-9-13-5-14(10-21)7-15(6-13)11-21/h3-4,8,13-15H,5-7,9-12H2,1-2H3