1-(1-adamantyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C28H32N4OS MolecularWeight: 472.64488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)C6=CN=CC=C6

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)C6=CN=CC=C6

InChI

InChI=1S/C28H32N4OS/c1-18(2)23-7-3-4-8-24(23)32-26(22-6-5-9-29-16-22)30-31-27(32)34-17-25(33)28-13-19-10-20(14-28)12-21(11-19)15-28/h3-9,16,18-21H,10-15,17H2,1-2H3