1-(1-adamantyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C20H27N3OS/c24-17(20-8-12-5-13(9-20)7-14(6-12)10-20)11-25-19-22-21-18(15-1-2-15)23(19)16-3-4-16/h12-16H,1-11H2