3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]-2H-1,2,3,4-tetrazol-3-ium

Systemtic Name: 3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]-2H-1,2,3,4-tetrazol-3-ium Openeye Name: 3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]-2H-tetrazol-3-ium CAS Name: 3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)thio]propyl]-2H-tetrazol-3-ium IUPAC Name: 3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]-2H-tetrazol-3-ium Traditional Name: 3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)thio]propyl]-2H-tetrazol-3-ium Formula: C19H19N6S+ MolecularWeight: 363.45936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(N2)SCCC[N+]3=NC=NN3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(N2)SCCC[N+]3=NC=NN3)C4=CC=CC=C4

InChI

InChI=1S/C19H18N6S/c1-3-8-15(9-4-1)17-18(16-10-5-2-6-11-16)23-19(22-17)26-13-7-12-25-21-14-20-24-25/h1-6,8-11,14H,7,12-13H2,(H,22,23)/p+1