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

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-1-methyl-5-(4-octylphenyl)-1,2,4-triazole Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-1-methyl-5-(4-octylphenyl)-1,2,4-triazole CAS Name: 3-(2-chloro-6-fluorophenyl)-1-methyl-5-(4-octylphenyl)-1,2,4-triazole IUPAC Name: 3-(2-chloro-6-fluorophenyl)-1-methyl-5-(4-octylphenyl)-1,2,4-triazole Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-1-methyl-5-(4-octylphenyl)-1,2,4-triazole Formula: C23H27ClFN3 MolecularWeight: 399.931983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC(=NN2C)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC(=NN2C)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C23H27ClFN3/c1-3-4-5-6-7-8-10-17-13-15-18(16-14-17)23-26-22(27-28(23)2)21-19(24)11-9-12-20(21)25/h9,11-16H,3-8,10H2,1-2H3