1-(1-adamantyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propan-1-one Openeye Name: 1-(1-adamantyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propan-1-one CAS Name: 1-(1-adamantyl)-2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropan-1-one Traditional Name: 1-(1-adamantyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]propan-1-one Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5N4CCOC

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5N4CCOC

InChI

InChI=1S/C23H30N2O2S/c1-15(21(26)23-12-16-9-17(13-23)11-18(10-16)14-23)28-22-24-19-5-3-4-6-20(19)25(22)7-8-27-2/h3-6,15-18H,7-14H2,1-2H3