ethyl 2,2-bis(2,5-diphenyl-1,2,4-triazol-3-yl)ethanoate

Systemtic Name: ethyl 2,2-bis(2,5-diphenyl-1,2,4-triazol-3-yl)ethanoate Openeye Name: ethyl 2,2-bis(2,5-diphenyl-1,2,4-triazol-3-yl)acetate CAS Name: 2,2-bis(2,5-diphenyl-1,2,4-triazol-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2,2-bis(2,5-diphenyl-1,2,4-triazol-3-yl)acetate Traditional Name: 2,2-bis(2,5-diphenyl-1,2,4-triazol-3-yl)acetic acid ethyl ester Formula: C32H26N6O2 MolecularWeight: 526.58784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NC(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=NN4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C(C1=NC(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=NN4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H26N6O2/c1-2-40-32(39)27(30-33-28(23-15-7-3-8-16-23)35-37(30)25-19-11-5-12-20-25)31-34-29(24-17-9-4-10-18-24)36-38(31)26-21-13-6-14-22-26/h3-22,27H,2H2,1H3