3-[3-(2-ethoxyphenyl)-4-fluoranyl-phenyl]-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: 3-[3-(2-ethoxyphenyl)-4-fluoranyl-phenyl]-1H-1,2,4-triazole-5-carboxamide Openeye Name: 3-[3-(2-ethoxyphenyl)-4-fluoro-phenyl]-1H-1,2,4-triazole-5-carboxamide CAS Name: 3-[3-(2-ethoxyphenyl)-4-fluorophenyl]-1H-1,2,4-triazole-5-carboxamide IUPAC Name: 3-[3-(2-ethoxyphenyl)-4-fluorophenyl]-1H-1,2,4-triazole-5-carboxamide Traditional Name: 3-(4-fluoro-3-o-phenetyl-phenyl)-1H-1,2,4-triazole-5-carboxamide Formula: C17H15FN4O2 MolecularWeight: 326.325003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=C(C=CC(=C2)C3=NNC(=N3)C(=O)N)F

Isomeric SMILES

CCOC1=CC=CC=C1C2=C(C=CC(=C2)C3=NNC(=N3)C(=O)N)F

InChI

InChI=1S/C17H15FN4O2/c1-2-24-14-6-4-3-5-11(14)12-9-10(7-8-13(12)18)16-20-17(15(19)23)22-21-16/h3-9H,2H2,1H3,(H2,19,23)(H,20,21,22)