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

Systemtic Name: N-(1-adamantyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4OS/c1-25-19(17-5-3-2-4-6-17)23-24-20(25)27-13-18(26)22-21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,14-16H,7-13H2,1H3,(H,22,26)