3-(1-adamantyl)-1-phenyl-1,2,3,4-tetrazol-1-ium-5-thiolate

Systemtic Name: 3-(1-adamantyl)-1-phenyl-1,2,3,4-tetrazol-1-ium-5-thiolate Openeye Name: 3-(1-adamantyl)-1-phenyl-tetrazol-1-ium-5-thiolate CAS Name: 3-(1-adamantyl)-1-phenyl-5-tetrazol-1-iumthiolate IUPAC Name: 3-(1-adamantyl)-1-phenyltetrazol-1-ium-5-thiolate Traditional Name: 3-(1-adamantyl)-1-phenyl-tetrazol-1-ium-5-thiolate Formula: C17H20N4S MolecularWeight: 312.4325

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4N=C([N+](=N4)C5=CC=CC=C5)[S-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4N=C([N+](=N4)C5=CC=CC=C5)[S-]

InChI

InChI=1S/C17H20N4S/c22-16-18-21(19-20(16)15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2