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

Systemtic Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-1-(4-fluorophenyl)ethanone Openeye Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-1-(4-fluorophenyl)ethanone CAS Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]thio]-1-(4-fluorophenyl)ethanone IUPAC Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-1-(4-fluorophenyl)ethanone Traditional Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]thio]-1-(4-fluorophenyl)ethanone Formula: C25H24FNO2S MolecularWeight: 421.526963

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C25H24FNO2S/c26-20-4-1-18(2-5-20)22(28)14-30-24-27-21-10-19(3-6-23(21)29-24)25-11-15-7-16(12-25)9-17(8-15)13-25/h1-6,10,15-17H,7-9,11-14H2