5-[3,5-bis(bromanyl)thiophen-2-yl]-2-(5-chloranyl-2-oxidanyl-phenyl)-1H-1,2,4-triazol-3-one

Systemtic Name: 5-[3,5-bis(bromanyl)thiophen-2-yl]-2-(5-chloranyl-2-oxidanyl-phenyl)-1H-1,2,4-triazol-3-one Openeye Name: 2-(5-chloro-2-hydroxy-phenyl)-5-(3,5-dibromo-2-thienyl)-1H-1,2,4-triazol-3-one CAS Name: 2-(5-chloro-2-hydroxyphenyl)-5-(3,5-dibromo-2-thiophenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-(5-chloro-2-hydroxyphenyl)-5-(3,5-dibromothiophen-2-yl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(5-chloro-2-hydroxy-phenyl)-5-(3,5-dibromo-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=CC(=C(C=C1Cl)N2C(=O)N=C(N2)C3=C(C=C(S3)Br)Br)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)N2C(=O)N=C(N2)C3=C(C=C(S3)Br)Br)O

InChI

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