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

Systemtic Name: 2-(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)-5-(5-bromanylthiophen-3-yl)-1H-1,2,4-triazol-3-one Openeye Name: 2-(3-bromo-5-chloro-2-hydroxy-phenyl)-5-(5-bromo-3-thienyl)-1H-1,2,4-triazol-3-one CAS Name: 2-(3-bromo-5-chloro-2-hydroxyphenyl)-5-(5-bromo-3-thiophenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-(3-bromo-5-chloro-2-hydroxyphenyl)-5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(3-bromo-5-chloro-2-hydroxy-phenyl)-5-(5-bromo-3-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(C=C(C(=C1Br)O)N2C(=O)N=C(N2)C3=CSC(=C3)Br)Cl

Isomeric SMILES

C1=C(C=C(C(=C1Br)O)N2C(=O)N=C(N2)C3=CSC(=C3)Br)Cl

InChI

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