1-(1-adamantyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-(1-methyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(1-adamantyl)-2-[(1-methyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[(1-methyltetrazol-5-yl)thio]ethanone Formula: C14H20N4OS MolecularWeight: 292.3998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN1C(=NN=N1)SCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C14H20N4OS/c1-18-13(15-16-17-18)20-8-12(19)14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11H,2-8H2,1H3