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

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-(2-fluoranyl-5-hexyl-phenyl)-1-methyl-1,2,4-triazole Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-5-(2-fluoro-5-hexyl-phenyl)-1-methyl-1,2,4-triazole CAS Name: 3-(2-chloro-6-fluorophenyl)-5-(2-fluoro-5-hexylphenyl)-1-methyl-1,2,4-triazole IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-(2-fluoro-5-hexylphenyl)-1-methyl-1,2,4-triazole Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-(2-fluoro-5-hexyl-phenyl)-1-methyl-1,2,4-triazole Formula: C21H22ClF2N3 MolecularWeight: 389.869286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)F)C2=NC(=NN2C)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)F)C2=NC(=NN2C)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H22ClF2N3/c1-3-4-5-6-8-14-11-12-17(23)15(13-14)21-25-20(26-27(21)2)19-16(22)9-7-10-18(19)24/h7,9-13H,3-6,8H2,1-2H3