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

Systemtic Name: 1-(1-adamantyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=NC=C6

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=NC=C6

InChI

InChI=1S/C26H28N4O2S/c1-32-22-4-2-21(3-5-22)30-24(20-6-8-27-9-7-20)28-29-25(30)33-16-23(31)26-13-17-10-18(14-26)12-19(11-17)15-26/h2-9,17-19H,10-16H2,1H3