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

Systemtic Name: N-(2-adamantyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-adamantyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-adamantyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-adamantyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-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)NC2C3CC4CC(C3)CC2C4)C5=CC=CC=C5OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2C3CC4CC(C3)CC2C4)C5=CC=CC=C5OC

InChI

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