3-(2-chloranyl-6-fluoranyl-phenyl)-5-(2-fluoranyl-5-undecyl-phenyl)-1-methyl-1,2,4-triazole

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-(2-fluoranyl-5-undecyl-phenyl)-1-methyl-1,2,4-triazole Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-5-(2-fluoro-5-undecyl-phenyl)-1-methyl-1,2,4-triazole CAS Name: 3-(2-chloro-6-fluorophenyl)-5-(2-fluoro-5-undecylphenyl)-1-methyl-1,2,4-triazole IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-(2-fluoro-5-undecylphenyl)-1-methyl-1,2,4-triazole Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-(2-fluoro-5-undecyl-phenyl)-1-methyl-1,2,4-triazole Formula: C26H32ClF2N3 MolecularWeight: 460.002186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC(=C(C=C1)F)C2=NC(=NN2C)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCCCCCCCCC1=CC(=C(C=C1)F)C2=NC(=NN2C)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C26H32ClF2N3/c1-3-4-5-6-7-8-9-10-11-13-19-16-17-22(28)20(18-19)26-30-25(31-32(26)2)24-21(27)14-12-15-23(24)29/h12,14-18H,3-11,13H2,1-2H3