1-(1-adamantyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CO6

InChI

InChI=1S/C24H25N3O2S/c28-21(24-12-16-9-17(13-24)11-18(10-16)14-24)15-30-23-26-25-22(20-7-4-8-29-20)27(23)19-5-2-1-3-6-19/h1-8,16-18H,9-15H2