N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(3-iodanyl-5-methoxy-4-phenylmethoxy-phenyl)methanimine

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(3-iodanyl-5-methoxy-4-phenylmethoxy-phenyl)methanimine Openeye Name: 1-(4-benzyloxy-3-iodo-5-methoxy-phenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]methanimine CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)-5-methyl-1,2,4-triazol-4-yl]-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine Traditional Name: (E)-(4-benzoxy-3-iodo-5-methoxy-benzylidene)-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]amine Formula: C23H23IN6O2 MolecularWeight: 542.37219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(N2N=CC3=CC(=C(C(=C3)I)OCC4=CC=CC=C4)OC)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(N2/N=C/C3=CC(=C(C(=C3)I)OCC4=CC=CC=C4)OC)C)C

InChI

InChI=1S/C23H23IN6O2/c1-15-10-16(2)29(28-15)23-27-26-17(3)30(23)25-13-19-11-20(24)22(21(12-19)31-4)32-14-18-8-6-5-7-9-18/h5-13H,14H2,1-4H3/b25-13+