6-[2,6-bis(fluoranyl)-4-methoxy-phenyl]-5,7-bis(chloranyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium

Systemtic Name: 6-[2,6-bis(fluoranyl)-4-methoxy-phenyl]-5,7-bis(chloranyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Openeye Name: 5,7-dichloro-6-(2,6-difluoro-4-methoxy-phenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium CAS Name: 5,7-dichloro-6-(2,6-difluoro-4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium IUPAC Name: 5,7-dichloro-6-(2,6-difluoro-4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Traditional Name: 5,7-dichloro-6-(2,6-difluoro-4-methoxy-phenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Formula: C12H7Cl2F2N4O+ MolecularWeight: 332.112986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)F)C2=C(N=C3N=CN[N+]3=C2Cl)Cl)F

Isomeric SMILES

COC1=CC(=C(C(=C1)F)C2=C(N=C3N=CN[N+]3=C2Cl)Cl)F

InChI

InChI=1S/C12H6Cl2F2N4O/c1-21-5-2-6(15)8(7(16)3-5)9-10(13)19-12-17-4-18-20(12)11(9)14/h2-4H,1H3/p+1