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

Systemtic Name: 3-(1-adamantyl)-1-phenyl-2H-1,2,3,4-tetrazol-3-ium-5-thione Openeye Name: 3-(1-adamantyl)-1-phenyl-2H-tetrazol-3-ium-5-thione CAS Name: 3-(1-adamantyl)-1-phenyl-2H-tetrazol-3-ium-5-thione IUPAC Name: 3-(1-adamantyl)-1-phenyl-2H-tetrazol-3-ium-5-thione Traditional Name: 3-(1-adamantyl)-1-phenyl-2H-tetrazol-3-ium-5-thione Formula: C17H21N4S+ MolecularWeight: 313.44044

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[N+]4=NC(=S)N(N4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[N+]4=NC(=S)N(N4)C5=CC=CC=C5

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/p+1