5-(5-bromanylthiophen-2-yl)-2-(5-fluoranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-one

Systemtic Name: 5-(5-bromanylthiophen-2-yl)-2-(5-fluoranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-one Openeye Name: 5-(5-bromo-2-thienyl)-2-(5-fluoro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-one CAS Name: 5-(5-bromo-2-thiophenyl)-2-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 5-(5-bromothiophen-2-yl)-2-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-3-one Traditional Name: 5-(5-bromo-2-thienyl)-2-(5-fluoro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-one Formula: C13H9BrFN3O2S MolecularWeight: 370.196863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)N2C(=O)N=C(N2)C3=CC=C(S3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)F)N2C(=O)N=C(N2)C3=CC=C(S3)Br

InChI

InChI=1S/C13H9BrFN3O2S/c1-20-9-3-2-7(15)6-8(9)18-13(19)16-12(17-18)10-4-5-11(14)21-10/h2-6H,1H3,(H,16,17,19)