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

Systemtic Name: 2-(4-bromanyl-5-chloranyl-2-methoxy-phenyl)-5-(5-bromanylthiophen-2-yl)-1H-1,2,4-triazol-3-one Openeye Name: 2-(4-bromo-5-chloro-2-methoxy-phenyl)-5-(5-bromo-2-thienyl)-1H-1,2,4-triazol-3-one CAS Name: 2-(4-bromo-5-chloro-2-methoxyphenyl)-5-(5-bromo-2-thiophenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-(4-bromo-5-chloro-2-methoxyphenyl)-5-(5-bromothiophen-2-yl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(4-bromo-5-chloro-2-methoxy-phenyl)-5-(5-bromo-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=CC(=C(C=C1N2C(=O)N=C(N2)C3=CC=C(S3)Br)Cl)Br

Isomeric SMILES

COC1=CC(=C(C=C1N2C(=O)N=C(N2)C3=CC=C(S3)Br)Cl)Br

InChI

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