1-(1-adamantyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one Openeye Name: 1-(1-adamantyl)-2-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one CAS Name: 1-(1-adamantyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one Traditional Name: 1-(1-adamantyl)-2-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]thio]propan-1-one Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(O2)SC(C)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(O2)SC(C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N2O2S/c1-13-5-3-4-6-18(13)20-23-24-21(26-20)27-14(2)19(25)22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17H,7-12H2,1-2H3