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

Systemtic Name: N-(1-adamantyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5OC

InChI

InChI=1S/C22H28N4O2S/c1-26-20(17-5-3-4-6-18(17)28-2)24-25-21(26)29-13-19(27)23-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16H,7-13H2,1-2H3,(H,23,27)