1-tert-butyl-3,4-diphenyl-1,2,4-triazol-4-ium; 2-cyanoethenylideneazanide

Systemtic Name: 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-4-ium; 2-cyanoethenylideneazanide Openeye Name: 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-4-ium; 2-cyanoethenylideneazanide CAS Name: 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-4-ium; 2-cyanoethenylideneazanide IUPAC Name: 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-4-ium; 2-cyanoethenylideneazanide Traditional Name: 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-4-ium; 2-cyanoethenylideneazanide Formula: C21H21N5 MolecularWeight: 343.42494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=[N+](C(=N1)C2=CC=CC=C2)C3=CC=CC=C3.C(=C=[N-])C#N

Isomeric SMILES

CC(C)(C)N1C=[N+](C(=N1)C2=CC=CC=C2)C3=CC=CC=C3.C(=C=[N-])C#N

InChI

InChI=1S/C18H20N3.C3HN2/c1-18(2,3)21-14-20(16-12-8-5-9-13-16)17(19-21)15-10-6-4-7-11-15;4-2-1-3-5/h4-14H,1-3H3;1H/q+1;-1