1-[3-(5-bromanyl-2-phenylmethoxy-phenyl)-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone

Systemtic Name: 1-[3-(5-bromanyl-2-phenylmethoxy-phenyl)-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone Openeye Name: 1-[3-(2-benzyloxy-5-bromo-phenyl)-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone CAS Name: 1-[3-(5-bromo-2-phenylmethoxyphenyl)-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone IUPAC Name: 1-[3-(5-bromo-2-phenylmethoxyphenyl)-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone Traditional Name: 1-[3-(2-benzoxy-5-bromo-phenyl)-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone Formula: C30H26BrN3O3 MolecularWeight: 556.44974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(N1C2=CC=C(C=C2)OC)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=NN(C(N1C2=CC=C(C=C2)OC)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H26BrN3O3/c1-21(35)29-32-34(25-11-7-4-8-12-25)30(33(29)24-14-16-26(36-2)17-15-24)27-19-23(31)13-18-28(27)37-20-22-9-5-3-6-10-22/h3-19,30H,20H2,1-2H3