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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C22H28N4OS/c1-2-26-20(18-6-4-3-5-7-18)24-25-21(26)28-14-19(27)23-22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,15-17H,2,8-14H2,1H3,(H,23,27)