2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]thio]-1-phenyl-ethanone Formula: C25H25NO2S MolecularWeight: 403.5365

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)OC(=N5)SCC(=O)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)OC(=N5)SCC(=O)C6=CC=CC=C6

InChI

InChI=1S/C25H25NO2S/c27-22(19-4-2-1-3-5-19)15-29-24-26-21-11-20(6-7-23(21)28-24)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,11,16-18H,8-10,12-15H2