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

Systemtic Name: 1-(1-adamantyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CO6

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CO6

InChI

InChI=1S/C24H31N3O2S/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/h4,7-8,16-19H,1-3,5-6,9-15H2