(E)-2-cyano-1-ethoxy-2-(1,4,5-triphenyl-1,2,4-triazol-4-ium-3-yl)ethenolate

Systemtic Name: (E)-2-cyano-1-ethoxy-2-(1,4,5-triphenyl-1,2,4-triazol-4-ium-3-yl)ethenolate Openeye Name: (E)-2-cyano-1-ethoxy-2-(1,4,5-triphenyl-1,2,4-triazol-4-ium-3-yl)ethenolate CAS Name: (E)-2-cyano-1-ethoxy-2-(1,4,5-triphenyl-1,2,4-triazol-4-ium-3-yl)ethenolate IUPAC Name: (E)-2-cyano-1-ethoxy-2-(1,4,5-triphenyl-1,2,4-triazol-4-ium-3-yl)ethenolate Traditional Name: (E)-2-cyano-1-ethoxy-2-(1,4,5-triphenyl-1,2,4-triazol-4-ium-3-yl)ethenolate Formula: C25H20N4O2 MolecularWeight: 408.4519

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C1=NN(C(=[N+]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)[O-]

Isomeric SMILES

CCO/C(=C(\C#N)/C1=NN(C(=[N+]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)/[O-]

InChI

InChI=1S/C25H20N4O2/c1-2-31-25(30)22(18-26)23-27-29(21-16-10-5-11-17-21)24(19-12-6-3-7-13-19)28(23)20-14-8-4-9-15-20/h3-17H,2H2,1H3