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

Systemtic Name: 5-(2-chloranyl-4-dodecyl-phenyl)-3-(2-chloranyl-6-fluoranyl-phenyl)-1-methyl-1,2,4-triazole Openeye Name: 5-(2-chloro-4-dodecyl-phenyl)-3-(2-chloro-6-fluoro-phenyl)-1-methyl-1,2,4-triazole CAS Name: 5-(2-chloro-4-dodecylphenyl)-3-(2-chloro-6-fluorophenyl)-1-methyl-1,2,4-triazole IUPAC Name: 5-(2-chloro-4-dodecylphenyl)-3-(2-chloro-6-fluorophenyl)-1-methyl-1,2,4-triazole Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-(2-chloro-4-lauryl-phenyl)-1-methyl-1,2,4-triazole Formula: C27H34Cl2FN3 MolecularWeight: 490.483363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C=C1)C2=NC(=NN2C)C3=C(C=CC=C3Cl)F)Cl

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C=C1)C2=NC(=NN2C)C3=C(C=CC=C3Cl)F)Cl

InChI

InChI=1S/C27H34Cl2FN3/c1-3-4-5-6-7-8-9-10-11-12-14-20-17-18-21(23(29)19-20)27-31-26(32-33(27)2)25-22(28)15-13-16-24(25)30/h13,15-19H,3-12,14H2,1-2H3