2-(4-bromanyl-5-chloranyl-2-oxidanyl-phenyl)-5-(5-bromanylthiophen-2-yl)-1H-1,2,4-triazol-3-one

Systemtic Name: 2-(4-bromanyl-5-chloranyl-2-oxidanyl-phenyl)-5-(5-bromanylthiophen-2-yl)-1H-1,2,4-triazol-3-one Openeye Name: 2-(4-bromo-5-chloro-2-hydroxy-phenyl)-5-(5-bromo-2-thienyl)-1H-1,2,4-triazol-3-one CAS Name: 2-(4-bromo-5-chloro-2-hydroxyphenyl)-5-(5-bromo-2-thiophenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-(4-bromo-5-chloro-2-hydroxyphenyl)-5-(5-bromothiophen-2-yl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(4-bromo-5-chloro-2-hydroxy-phenyl)-5-(5-bromo-2-thienyl)-1H-1,2,4-triazol-3-one Formula: C12H6Br2ClN3O2S MolecularWeight: 451.52094

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)C2=NC(=O)N(N2)C3=CC(=C(C=C3O)Br)Cl

Isomeric SMILES

C1=C(SC(=C1)Br)C2=NC(=O)N(N2)C3=CC(=C(C=C3O)Br)Cl

InChI

InChI=1S/C12H6Br2ClN3O2S/c13-5-3-8(19)7(4-6(5)15)18-12(20)16-11(17-18)9-1-2-10(14)21-9/h1-4,19H,(H,16,17,20)