1-[3-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-4-methoxy-phenyl]ethanone Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N2O3S/c1-13(25)17-3-4-19(26-2)18(8-17)12-28-21-24-23-20(27-21)22-9-14-5-15(10-22)7-16(6-14)11-22/h3-4,8,14-16H,5-7,9-12H2,1-2H3