4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-yn-1-ol

Systemtic Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-yn-1-ol Openeye Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-yn-1-ol CAS Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]-2-butyn-1-ol IUPAC Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-yn-1-ol Traditional Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-yn-1-ol Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(O2)SCC#CCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(O2)SCC#CCO)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O4S/c16-7-1-2-8-20-12-14-13-11(19-12)9-3-5-10(6-4-9)15(17)18/h3-6,16H,7-8H2