1-[[5-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[5-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[2-(1-adamantyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[[1-(1-adamantyl)-1-oxopropan-2-yl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[[2-(1-adamantyl)-2-keto-1-methyl-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C24H36N4O2S MolecularWeight: 444.63324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)C23CC4CC(C2)CC(C4)C3)CN5CCCCCC5=O

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)C23CC4CC(C2)CC(C4)C3)CN5CCCCCC5=O

InChI

InChI=1S/C24H36N4O2S/c1-3-28-20(15-27-8-6-4-5-7-21(27)29)25-26-23(28)31-16(2)22(30)24-12-17-9-18(13-24)11-19(10-17)14-24/h16-19H,3-15H2,1-2H3