ethyl 4-[3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2,4-triazol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2,4-triazol-1-yl]benzoate Openeye Name: ethyl 4-[3-(2-chloro-6-fluoro-phenyl)-5-methyl-1,2,4-triazol-1-yl]benzoate CAS Name: 4-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2,4-triazol-1-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2,4-triazol-1-yl]benzoate Traditional Name: 4-[3-(2-chloro-6-fluoro-phenyl)-5-methyl-1,2,4-triazol-1-yl]benzoic acid ethyl ester Formula: C18H15ClFN3O2 MolecularWeight: 359.782003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=NC(=N2)C3=C(C=CC=C3Cl)F)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=NC(=N2)C3=C(C=CC=C3Cl)F)C

InChI

InChI=1S/C18H15ClFN3O2/c1-3-25-18(24)12-7-9-13(10-8-12)23-11(2)21-17(22-23)16-14(19)5-4-6-15(16)20/h4-10H,3H2,1-2H3