1-dodecyl-5-phenyl-1-sulfanyl-1,2,3,4-tetrazol-1-ium

Systemtic Name: 1-dodecyl-5-phenyl-1-sulfanyl-1,2,3,4-tetrazol-1-ium Openeye Name: 1-dodecyl-5-phenyl-1-sulfanyl-tetrazol-1-ium CAS Name: 1-dodecyl-1-mercapto-5-phenyltetrazol-1-ium IUPAC Name: 1-dodecyl-5-phenyl-1-sulfanyltetrazol-1-ium Traditional Name: 1-lauryl-1-mercapto-5-phenyl-tetrazol-1-ium Formula: C19H31N4S+ MolecularWeight: 347.54124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1(C(=NN=N1)C2=CC=CC=C2)S

Isomeric SMILES

CCCCCCCCCCCC[N+]1(C(=NN=N1)C2=CC=CC=C2)S

InChI

InChI=1S/C19H31N4S/c1-2-3-4-5-6-7-8-9-10-14-17-23(24)19(20-21-22-23)18-15-12-11-13-16-18/h11-13,15-16,24H,2-10,14,17H2,1H3/q+1