1-(azocan-1-ium-1-ylmethyl)-4-phenyl-1,2,3,4-tetrazole-5-thione

Systemtic Name: 1-(azocan-1-ium-1-ylmethyl)-4-phenyl-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(azocan-1-ium-1-ylmethyl)-4-phenyl-tetrazole-5-thione CAS Name: 1-(1-azocan-1-iumylmethyl)-4-phenyl-5-tetrazolethione IUPAC Name: 1-(azocan-1-ium-1-ylmethyl)-4-phenyltetrazole-5-thione Traditional Name: 1-(azocan-1-ium-1-ylmethyl)-4-phenyl-tetrazole-5-thione Formula: C15H22N5S+ MolecularWeight: 304.43368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CN2C(=S)N(N=N2)C3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CCC1)CN2C(=S)N(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C15H21N5S/c21-15-19(13-18-11-7-2-1-3-8-12-18)16-17-20(15)14-9-5-4-6-10-14/h4-6,9-10H,1-3,7-8,11-13H2/p+1