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

Systemtic Name: 5-(3-bromanylthiophen-2-yl)-2-(5-chloranyl-2-oxidanyl-phenyl)-1H-1,2,4-triazol-3-one Openeye Name: 5-(3-bromo-2-thienyl)-2-(5-chloro-2-hydroxy-phenyl)-1H-1,2,4-triazol-3-one CAS Name: 5-(3-bromo-2-thiophenyl)-2-(5-chloro-2-hydroxyphenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 5-(3-bromothiophen-2-yl)-2-(5-chloro-2-hydroxyphenyl)-1H-1,2,4-triazol-3-one Traditional Name: 5-(3-bromo-2-thienyl)-2-(5-chloro-2-hydroxy-phenyl)-1H-1,2,4-triazol-3-one Formula: C12H7BrClN3O2S MolecularWeight: 372.62488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)N2C(=O)N=C(N2)C3=C(C=CS3)Br)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)N2C(=O)N=C(N2)C3=C(C=CS3)Br)O

InChI

InChI=1S/C12H7BrClN3O2S/c13-7-3-4-20-10(7)11-15-12(19)17(16-11)8-5-6(14)1-2-9(8)18/h1-5,18H,(H,15,16,19)