4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-butyl-2-(2-chloranyl-5-nitro-phenyl)-1,2,4-triazol-3-one

Systemtic Name: 4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-butyl-2-(2-chloranyl-5-nitro-phenyl)-1,2,4-triazol-3-one Openeye Name: 4-[(4-bromo-2-fluoro-phenyl)methyl]-5-butyl-2-(2-chloro-5-nitro-phenyl)-1,2,4-triazol-3-one CAS Name: 4-[(4-bromo-2-fluorophenyl)methyl]-5-butyl-2-(2-chloro-5-nitrophenyl)-1,2,4-triazol-3-one IUPAC Name: 4-[(4-bromo-2-fluorophenyl)methyl]-5-butyl-2-(2-chloro-5-nitrophenyl)-1,2,4-triazol-3-one Traditional Name: 4-(4-bromo-2-fluoro-benzyl)-5-butyl-2-(2-chloro-5-nitro-phenyl)-1,2,4-triazol-3-one Formula: C19H17BrClFN4O3 MolecularWeight: 483.718683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)Br)F)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)Br)F)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17BrClFN4O3/c1-2-3-4-18-23-25(17-10-14(26(28)29)7-8-15(17)21)19(27)24(18)11-12-5-6-13(20)9-16(12)22/h5-10H,2-4,11H2,1H3