2-(1-adamantyl)-5-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-1,3,4-oxadiazole

Systemtic Name: 2-(1-adamantyl)-5-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-1,3,4-oxadiazole Openeye Name: 2-(1-adamantyl)-5-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-1,3,4-oxadiazole CAS Name: 2-(1-adamantyl)-5-[[(1S)-1-(3-nitrophenyl)ethyl]thio]-1,3,4-oxadiazole IUPAC Name: 2-(1-adamantyl)-5-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-1,3,4-oxadiazole Traditional Name: 2-(1-adamantyl)-5-[[(1S)-1-(3-nitrophenyl)ethyl]thio]-1,3,4-oxadiazole Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H23N3O3S/c1-12(16-3-2-4-17(8-16)23(24)25)27-19-22-21-18(26-19)20-9-13-5-14(10-20)7-15(6-13)11-20/h2-4,8,12-15H,5-7,9-11H2,1H3/t12-,13?,14?,15?,20?/m0/s1