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

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

Isomeric SMILES

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

InChI

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