1-(1-adamantyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c24-17(20-8-12-4-13(9-20)6-14(5-12)10-20)11-28-19-22-21-18(27-19)15-2-1-3-16(7-15)23(25)26/h1-3,7,12-14H,4-6,8-11H2