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

Systemtic Name: 1-(1-adamantyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(1-adamantyl)-2-[(1-phenyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[(1-phenyltetrazol-5-yl)thio]ethanone Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C19H22N4OS/c24-17(19-9-13-6-14(10-19)8-15(7-13)11-19)12-25-18-20-21-22-23(18)16-4-2-1-3-5-16/h1-5,13-15H,6-12H2