3-[4-bromanyl-5-(trifluoromethyl)pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-bromanyl-5-(trifluoromethyl)pyrazol-1-yl]benzenecarbonitrile Openeye Name: 3-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]benzonitrile CAS Name: 3-[4-bromo-5-(trifluoromethyl)-1-pyrazolyl]benzonitrile IUPAC Name: 3-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]benzonitrile Traditional Name: 3-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]benzonitrile Formula: C11H5BrF3N3 MolecularWeight: 316.07671

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=C(C=N2)Br)C(F)(F)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=C(C=N2)Br)C(F)(F)F)C#N

InChI

InChI=1S/C11H5BrF3N3/c12-9-6-17-18(10(9)11(13,14)15)8-3-1-2-7(4-8)5-16/h1-4,6H