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

Systemtic Name: N-(1-adamantyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H29N5OS MolecularWeight: 459.60636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=NC=C6

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=NC=C6

InChI

InChI=1S/C26H29N5OS/c1-17-4-2-3-5-22(17)31-24(21-6-8-27-9-7-21)29-30-25(31)33-16-23(32)28-26-13-18-10-19(14-26)12-20(11-18)15-26/h2-9,18-20H,10-16H2,1H3,(H,28,32)