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

Systemtic Name: 1-[[5-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[5-[2-(1-adamantyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one CAS Name: 1-[[5-[[1-(1-adamantyl)-1-oxopropan-2-yl]thio]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[5-[1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[5-[[2-(1-adamantyl)-2-keto-1-methyl-ethyl]thio]-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidone Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4C5=CC=CC=N5)CN6CCCC6=O

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4C5=CC=CC=N5)CN6CCCC6=O

InChI

InChI=1S/C25H31N5O2S/c1-16(23(32)25-12-17-9-18(13-25)11-19(10-17)14-25)33-24-28-27-21(15-29-8-4-6-22(29)31)30(24)20-5-2-3-7-26-20/h2-3,5,7,16-19H,4,6,8-15H2,1H3