2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-1-(4-phenylphenyl)ethanone

Systemtic Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-1-(4-phenylphenyl)ethanone Openeye Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-1-(4-phenylphenyl)ethanone CAS Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]thio]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-1-(4-phenylphenyl)ethanone Traditional Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]thio]-1-(4-phenylphenyl)ethanone Formula: C31H29NO2S MolecularWeight: 479.63246

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)OC(=N5)SCC(=O)C6=CC=C(C=C6)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)OC(=N5)SCC(=O)C6=CC=C(C=C6)C7=CC=CC=C7

InChI

InChI=1S/C31H29NO2S/c33-28(25-8-6-24(7-9-25)23-4-2-1-3-5-23)19-35-30-32-27-15-26(10-11-29(27)34-30)31-16-20-12-21(17-31)14-22(13-20)18-31/h1-11,15,20-22H,12-14,16-19H2