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

Systemtic Name: 2-[(1S)-1-(1-adamantylsulfanyl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(1S)-1-(1-adamantylsulfanyl)ethyl]-5-(p-tolyl)-1,3,4-oxadiazole CAS Name: 2-[(1S)-1-(1-adamantylthio)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(1S)-1-(1-adamantylsulfanyl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(1S)-1-(1-adamantylthio)ethyl]-5-(p-tolyl)-1,3,4-oxadiazole Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)SC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)[C@H](C)SC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N2OS/c1-13-3-5-18(6-4-13)20-23-22-19(24-20)14(2)25-21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,14-17H,7-12H2,1-2H3/t14-,15?,16?,17?,21?/m0/s1