(3Z)-3-(2,3-diphenyl-1H-1,2,3,4-tetrazol-3-ium-5-ylidene)indole bromide

Systemtic Name: (3Z)-3-(2,3-diphenyl-1H-1,2,3,4-tetrazol-3-ium-5-ylidene)indole bromide Openeye Name: (3Z)-3-(2,3-diphenyl-1H-tetrazol-3-ium-5-ylidene)indole bromide CAS Name: (3Z)-3-(2,3-diphenyl-1H-tetrazol-3-ium-5-ylidene)indole bromide IUPAC Name: (3Z)-3-(2,3-diphenyl-1H-tetrazol-3-ium-5-ylidene)indole bromide Traditional Name: (3Z)-3-(2,3-diphenyl-1H-tetrazol-3-ium-5-ylidene)indole bromide Formula: C21H16BrN5 MolecularWeight: 418.28924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2NC(=C3C=NC4=CC=CC=C43)N=[N+]2C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)N2N/C(=C\3/C=NC4=CC=CC=C43)/N=[N+]2C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C21H16N5.BrH/c1-3-9-16(10-4-1)25-23-21(24-26(25)17-11-5-2-6-12-17)19-15-22-20-14-8-7-13-18(19)20;/h1-15H,(H,23,24);1H/q+1;/p-1