1-(1-adamantyl)-2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-[5-phenyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(1-adamantyl)-2-[[1-(2-oxolanylmethyl)-5-phenyl-2-imidazolyl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[[5-phenyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]ethanone Formula: C26H32N2O2S MolecularWeight: 436.60948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=CN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

C1CC(OC1)CN2C(=CN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C26H32N2O2S/c29-24(26-12-18-9-19(13-26)11-20(10-18)14-26)17-31-25-27-15-23(21-5-2-1-3-6-21)28(25)16-22-7-4-8-30-22/h1-3,5-6,15,18-20,22H,4,7-14,16-17H2