4-[4-bromanyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-fluoranyl-2-oxidanyl-benzenecarbonitrile

Systemtic Name: 4-[4-bromanyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-fluoranyl-2-oxidanyl-benzenecarbonitrile Openeye Name: 4-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-fluoro-2-hydroxy-benzonitrile CAS Name: 4-[4-bromo-1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-5-fluoro-2-hydroxybenzonitrile IUPAC Name: 4-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-fluoro-2-hydroxybenzonitrile Traditional Name: 4-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-fluoro-2-hydroxy-benzonitrile Formula: C12H6BrF4N3O MolecularWeight: 364.093153

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=C(C=C(C(=C2)O)C#N)F)Br)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C2=C(C=C(C(=C2)O)C#N)F)Br)C(F)(F)F

InChI

InChI=1S/C12H6BrF4N3O/c1-20-11(12(15,16)17)9(13)10(19-20)6-3-8(21)5(4-18)2-7(6)14/h2-3,21H,1H3