5-(5-bromanylthiophen-2-yl)-2-[2-oxidanyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one

Systemtic Name: 5-(5-bromanylthiophen-2-yl)-2-[2-oxidanyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one Openeye Name: 5-(5-bromo-2-thienyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one CAS Name: 5-(5-bromo-2-thiophenyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one IUPAC Name: 5-(5-bromothiophen-2-yl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one Traditional Name: 5-(5-bromo-2-thienyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one Formula: C13H7BrF3N3O2S MolecularWeight: 406.17779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)N2C(=O)N=C(N2)C3=CC=C(S3)Br)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)N2C(=O)N=C(N2)C3=CC=C(S3)Br)O

InChI

InChI=1S/C13H7BrF3N3O2S/c14-10-4-3-9(23-10)11-18-12(22)20(19-11)7-5-6(13(15,16)17)1-2-8(7)21/h1-5,21H,(H,18,19,22)