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

Systemtic Name: 1-(1-adamantyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=NC=C5

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=NC=C5

InChI

InChI=1S/C20H24N4OS/c1-24-18(16-2-4-21-5-3-16)22-23-19(24)26-12-17(25)20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15H,6-12H2,1H3