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

Systemtic Name: 3-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]-2H-1,2,3,4-tetrazol-3-ium Openeye Name: 3-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]-2H-tetrazol-3-ium CAS Name: 3-[4-[(4,5-diphenyl-1H-imidazol-2-yl)thio]butyl]-2H-tetrazol-3-ium IUPAC Name: 3-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]-2H-tetrazol-3-ium Traditional Name: 3-[4-[(4,5-diphenyl-1H-imidazol-2-yl)thio]butyl]-2H-tetrazol-3-ium Formula: C20H21N6S+ MolecularWeight: 377.48594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6S/c1-3-9-16(10-4-1)18-19(17-11-5-2-6-12-17)24-20(23-18)27-14-8-7-13-26-22-15-21-25-26/h1-6,9-12,15H,7-8,13-14H2,(H,23,24)/p+1