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

Systemtic Name: 1-(1-adamantyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H28N4OS MolecularWeight: 444.59172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)C6=CN=CC=C6

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)C6=CN=CC=C6

InChI

InChI=1S/C26H28N4OS/c1-17-5-2-3-7-22(17)30-24(21-6-4-8-27-15-21)28-29-25(30)32-16-23(31)26-12-18-9-19(13-26)11-20(10-18)14-26/h2-8,15,18-20H,9-14,16H2,1H3