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

Systemtic Name: 1-[3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-4-(4-ethoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone Openeye Name: 1-[3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-4-(4-ethoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone CAS Name: 1-[3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(4-ethoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone IUPAC Name: 1-[3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(4-ethoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone Traditional Name: 1-[3-(4-benzoxy-3-bromo-5-methoxy-phenyl)-2-phenyl-4-p-phenetyl-3H-1,2,4-triazol-5-yl]ethanone Formula: C32H30BrN3O4 MolecularWeight: 600.5023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(N(N=C2C(=O)C)C3=CC=CC=C3)C4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(N(N=C2C(=O)C)C3=CC=CC=C3)C4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C32H30BrN3O4/c1-4-39-27-17-15-25(16-18-27)35-31(22(2)37)34-36(26-13-9-6-10-14-26)32(35)24-19-28(33)30(29(20-24)38-3)40-21-23-11-7-5-8-12-23/h5-20,32H,4,21H2,1-3H3