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

Systemtic Name: 5-[3,4-bis(bromanyl)thiophen-2-yl]-2-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-one Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-5-(3,4-dibromo-2-thienyl)-1H-1,2,4-triazol-3-one CAS Name: 2-(5-chloro-2-methoxyphenyl)-5-(3,4-dibromo-2-thiophenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-5-(3,4-dibromothiophen-2-yl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-5-(3,4-dibromo-2-thienyl)-1H-1,2,4-triazol-3-one Formula: C13H8Br2ClN3O2S MolecularWeight: 465.54752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C(=O)N=C(N2)C3=C(C(=CS3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C(=O)N=C(N2)C3=C(C(=CS3)Br)Br

InChI

InChI=1S/C13H8Br2ClN3O2S/c1-21-9-3-2-6(16)4-8(9)19-13(20)17-12(18-19)11-10(15)7(14)5-22-11/h2-5H,1H3,(H,17,18,20)