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

Systemtic Name: N-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methoxy-aniline Openeye Name: N-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methoxy-aniline CAS Name: N-[[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-4-methoxyaniline IUPAC Name: N-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methoxyaniline Traditional Name: [[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]methyl-(4-methoxyphenyl)amine Formula: C20H25N3O2S MolecularWeight: 371.4964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCSC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)NCSC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H25N3O2S/c1-24-17-4-2-16(3-5-17)21-12-26-19-23-22-18(25-19)20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15,21H,6-12H2,1H3