4-(4-methoxyphenyl)-3-phenyl-5-[[2,4,6-tris(chloranyl)phenoxy]methyl]-1,2,4-triazole

Systemtic Name: 4-(4-methoxyphenyl)-3-phenyl-5-[[2,4,6-tris(chloranyl)phenoxy]methyl]-1,2,4-triazole Openeye Name: 4-(4-methoxyphenyl)-3-phenyl-5-[(2,4,6-trichlorophenoxy)methyl]-1,2,4-triazole CAS Name: 4-(4-methoxyphenyl)-3-phenyl-5-[(2,4,6-trichlorophenoxy)methyl]-1,2,4-triazole IUPAC Name: 4-(4-methoxyphenyl)-3-phenyl-5-[(2,4,6-trichlorophenoxy)methyl]-1,2,4-triazole Traditional Name: 4-(4-methoxyphenyl)-3-phenyl-5-[(2,4,6-trichlorophenoxy)methyl]-1,2,4-triazole Formula: C22H16Cl3N3O2 MolecularWeight: 460.74034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2C3=CC=CC=C3)COC4=C(C=C(C=C4Cl)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2C3=CC=CC=C3)COC4=C(C=C(C=C4Cl)Cl)Cl

InChI

InChI=1S/C22H16Cl3N3O2/c1-29-17-9-7-16(8-10-17)28-20(26-27-22(28)14-5-3-2-4-6-14)13-30-21-18(24)11-15(23)12-19(21)25/h2-12H,13H2,1H3