1,4,6-tris(4-methoxyphenyl)-3,3a-diphenyl-[1,2,4]triazolo[1,5-c][1,2,3]triazol-5-one

Systemtic Name: 1,4,6-tris(4-methoxyphenyl)-3,3a-diphenyl-[1,2,4]triazolo[1,5-c][1,2,3]triazol-5-one Openeye Name: 1,4,6-tris(4-methoxyphenyl)-3,3a-diphenyl-[1,2,4]triazolo[1,5-c]triazol-5-one CAS Name: 1,4,6-tris(4-methoxyphenyl)-3,3a-diphenyl-[1,2,4]triazolo[1,5-c]triazol-5-one IUPAC Name: 1,4,6-tris(4-methoxyphenyl)-3,3a-diphenyl-[1,2,4]triazolo[1,5-c]triazol-5-one Traditional Name: 1,4,6-tris(4-methoxyphenyl)-3,3a-diphenyl-[1,2,4]triazolo[1,5-c]triazol-5-one Formula: C36H31N5O4 MolecularWeight: 597.66244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)N(N3C2(C(=NN3C4=CC=C(C=C4)OC)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)N(N3C2(C(=NN3C4=CC=C(C=C4)OC)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)OC

InChI

InChI=1S/C36H31N5O4/c1-43-31-20-14-28(15-21-31)38-35(42)39(29-16-22-32(44-2)23-17-29)41-36(38,27-12-8-5-9-13-27)34(26-10-6-4-7-11-26)37-40(41)30-18-24-33(45-3)25-19-30/h4-25H,1-3H3