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

Systemtic Name: N-(1-adamantyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5

InChI

InChI=1S/C22H28N4OS/c1-26-19(10-15-5-3-2-4-6-15)24-25-21(26)28-14-20(27)23-22-11-16-7-17(12-22)9-18(8-16)13-22/h2-6,16-18H,7-14H2,1H3,(H,23,27)