5-(5-chloranylthiophen-2-yl)-2-(5-fluoranyl-2-oxidanyl-phenyl)-1H-1,2,4-triazol-3-one

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-2-(5-fluoranyl-2-oxidanyl-phenyl)-1H-1,2,4-triazol-3-one Openeye Name: 5-(5-chloro-2-thienyl)-2-(5-fluoro-2-hydroxy-phenyl)-1H-1,2,4-triazol-3-one CAS Name: 5-(5-chloro-2-thiophenyl)-2-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 5-(5-chlorothiophen-2-yl)-2-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-3-one Traditional Name: 5-(5-chloro-2-thienyl)-2-(5-fluoro-2-hydroxy-phenyl)-1H-1,2,4-triazol-3-one Formula: C12H7ClFN3O2S MolecularWeight: 311.719283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)N2C(=O)N=C(N2)C3=CC=C(S3)Cl)O

Isomeric SMILES

C1=CC(=C(C=C1F)N2C(=O)N=C(N2)C3=CC=C(S3)Cl)O

InChI

InChI=1S/C12H7ClFN3O2S/c13-10-4-3-9(20-10)11-15-12(19)17(16-11)7-5-6(14)1-2-8(7)18/h1-5,18H,(H,15,16,19)