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

Systemtic Name: 3-[4-fluoranyl-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide Openeye Name: 3-[3-(2-allyloxyphenyl)-4-fluoro-phenyl]-1H-1,2,4-triazole-5-carboxamide CAS Name: 3-[4-fluoro-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide IUPAC Name: 3-[4-fluoro-3-(2-prop-2-enoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide Traditional Name: 3-[3-(2-allyloxyphenyl)-4-fluoro-phenyl]-1H-1,2,4-triazole-5-carboxamide Formula: C18H15FN4O2 MolecularWeight: 338.335703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15FN4O2/c1-2-9-25-15-6-4-3-5-12(15)13-10-11(7-8-14(13)19)17-21-18(16(20)24)23-22-17/h2-8,10H,1,9H2,(H2,20,24)(H,21,22,23)