ethyl 2-cyano-2-(2,3,4-triphenyl-1H-1,2,4-triazol-4-ium-5-ylidene)ethanoate

Systemtic Name: ethyl 2-cyano-2-(2,3,4-triphenyl-1H-1,2,4-triazol-4-ium-5-ylidene)ethanoate Openeye Name: ethyl 2-cyano-2-(2,3,4-triphenyl-1H-1,2,4-triazol-4-ium-5-ylidene)acetate CAS Name: 2-cyano-2-(2,3,4-triphenyl-1H-1,2,4-triazol-4-ium-5-ylidene)acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(2,3,4-triphenyl-1H-1,2,4-triazol-4-ium-5-ylidene)acetate Traditional Name: 2-cyano-2-(2,3,4-triphenyl-1H-1,2,4-triazol-4-ium-5-ylidene)acetic acid ethyl ester Formula: C25H21N4O2+ MolecularWeight: 409.45984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1NN(C(=[N+]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C(=C1NN(C(=[N+]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

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/p+1