3-[[5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]thiolane 1,1-dioxide

Systemtic Name: 3-[[5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]thiolane 1,1-dioxide Openeye Name: 3-[[5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]thiolane 1,1-dioxide CAS Name: 3-[[5-(6-phenanthridinylmethylthio)-1,3,4-oxadiazol-2-yl]methyl]thiolane 1,1-dioxide IUPAC Name: 3-[[5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]thiolane 1,1-dioxide Traditional Name: 3-[[5-(phenanthridin-6-ylmethylthio)-1,3,4-oxadiazol-2-yl]methyl]sulfolane Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CC2=NN=C(O2)SCC3=NC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

C1CS(=O)(=O)CC1CC2=NN=C(O2)SCC3=NC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C21H19N3O3S2/c25-29(26)10-9-14(13-29)11-20-23-24-21(27-20)28-12-19-17-7-2-1-5-15(17)16-6-3-4-8-18(16)22-19/h1-8,14H,9-13H2