2-(3,4-dimethoxyphenyl)-5-[[(2R)-oxan-2-yl]methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[[(2R)-oxan-2-yl]methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(3,4-dimethoxyphenyl)-5-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(3,4-dimethoxyphenyl)-5-[[(2R)-2-oxanyl]methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[[(2R)-oxan-2-yl]methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(3,4-dimethoxyphenyl)-5-[[(2R)-tetrahydropyran-2-yl]methylthio]-1,3,4-oxadiazole Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC3CCCCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)SC[C@H]3CCCCO3)OC

InChI

InChI=1S/C16H20N2O4S/c1-19-13-7-6-11(9-14(13)20-2)15-17-18-16(22-15)23-10-12-5-3-4-8-21-12/h6-7,9,12H,3-5,8,10H2,1-2H3/t12-/m1/s1