5-azanyl-4-bromanyl-1-[6-chloranyl-1,1,3,3-tetrakis(fluoranyl)-2-benzofuran-5-yl]pyrazole-3-carbonitrile

Systemtic Name: 5-azanyl-4-bromanyl-1-[6-chloranyl-1,1,3,3-tetrakis(fluoranyl)-2-benzofuran-5-yl]pyrazole-3-carbonitrile Openeye Name: 5-amino-4-bromo-1-(6-chloro-1,1,3,3-tetrafluoro-isobenzofuran-5-yl)pyrazole-3-carbonitrile CAS Name: 5-amino-4-bromo-1-(6-chloro-1,1,3,3-tetrafluoro-5-isobenzofuranyl)-3-pyrazolecarbonitrile IUPAC Name: 5-amino-4-bromo-1-(6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-yl)pyrazole-3-carbonitrile Traditional Name: 5-amino-4-bromo-1-(6-chloro-1,1,3,3-tetrafluoro-phthalan-5-yl)pyrazole-3-carbonitrile Formula: C12H4BrClF4N4O MolecularWeight: 411.536973

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1N3C(=C(C(=N3)C#N)Br)N)Cl)C(OC2(F)F)(F)F

Isomeric SMILES

C1=C2C(=CC(=C1N3C(=C(C(=N3)C#N)Br)N)Cl)C(OC2(F)F)(F)F

InChI

InChI=1S/C12H4BrClF4N4O/c13-9-7(3-19)21-22(10(9)20)8-2-5-4(1-6(8)14)11(15,16)23-12(5,17)18/h1-2H,20H2