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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])SC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])SC34CC5CC(C3)CC(C5)C4

InChI

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