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

Systemtic Name: 5-azanyl-1-[5-chloranyl-2,2,3,3-tetrakis(fluoranyl)-1-benzofuran-6-yl]pyrazole-3-carbonitrile Openeye Name: 5-amino-1-(5-chloro-2,2,3,3-tetrafluoro-benzofuran-6-yl)pyrazole-3-carbonitrile CAS Name: 5-amino-1-(5-chloro-2,2,3,3-tetrafluoro-6-benzofuranyl)-3-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(5-chloro-2,2,3,3-tetrafluoro-1-benzofuran-6-yl)pyrazole-3-carbonitrile Traditional Name: 5-amino-1-(5-chloro-2,2,3,3-tetrafluoro-coumaran-6-yl)pyrazole-3-carbonitrile Formula: C12H5ClF4N4O MolecularWeight: 332.640913

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1Cl)N3C(=CC(=N3)C#N)N)OC(C2(F)F)(F)F

Isomeric SMILES

C1=C2C(=CC(=C1Cl)N3C(=CC(=N3)C#N)N)OC(C2(F)F)(F)F

InChI

InChI=1S/C12H5ClF4N4O/c13-7-2-6-9(22-12(16,17)11(6,14)15)3-8(7)21-10(19)1-5(4-18)20-21/h1-3H,19H2