2-(oxan-2-ylmethylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(oxan-2-ylmethylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-(tetrahydropyran-2-ylmethylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-(2-oxanylmethylthio)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-(oxan-2-ylmethylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-(tetrahydropyran-2-ylmethylthio)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC3CCCCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC3CCCCO3

InChI

InChI=1S/C17H22N2O5S/c1-20-13-8-11(9-14(21-2)15(13)22-3)16-18-19-17(24-16)25-10-12-6-4-5-7-23-12/h8-9,12H,4-7,10H2,1-3H3