3-[[5-(2-pyridin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]thiolane 1,1-dioxide

Systemtic Name: 3-[[5-(2-pyridin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]thiolane 1,1-dioxide Openeye Name: 3-[[5-[2-(4-pyridyl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]thiolane 1,1-dioxide CAS Name: 3-[[5-(2-pyridin-4-ylethylthio)-1,3,4-oxadiazol-2-yl]methyl]thiolane 1,1-dioxide IUPAC Name: 3-[[5-(2-pyridin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]thiolane 1,1-dioxide Traditional Name: 3-[[5-[2-(4-pyridyl)ethylthio]-1,3,4-oxadiazol-2-yl]methyl]sulfolane Formula: C14H17N3O3S2 MolecularWeight: 339.43308

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CC2=NN=C(O2)SCCC3=CC=NC=C3

Isomeric SMILES

C1CS(=O)(=O)CC1CC2=NN=C(O2)SCCC3=CC=NC=C3

InChI

InChI=1S/C14H17N3O3S2/c18-22(19)8-4-12(10-22)9-13-16-17-14(20-13)21-7-3-11-1-5-15-6-2-11/h1-2,5-6,12H,3-4,7-10H2