1-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]thio]-2-propanone IUPAC Name: 1-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]thio]acetone Formula: C20H23NO2S MolecularWeight: 341.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(O1)C=CC(=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)CSC1=NC2=C(O1)C=CC(=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H23NO2S/c1-12(22)11-24-19-21-17-7-16(2-3-18(17)23-19)20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15H,4-6,8-11H2,1H3