2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-bromanyl-pyrazole-3-carbonitrile

Systemtic Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-bromanyl-pyrazole-3-carbonitrile Openeye Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-bromo-pyrazole-3-carbonitrile CAS Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-bromo-3-pyrazolecarbonitrile IUPAC Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-bromopyrazole-3-carbonitrile Traditional Name: 2-[3,5-bis(trifluoromethyl)benzyl]-4-bromo-pyrazole-3-carbonitrile Formula: C13H6BrF6N3 MolecularWeight: 398.101259

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN2C(=C(C=N2)Br)C#N

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN2C(=C(C=N2)Br)C#N

InChI

InChI=1S/C13H6BrF6N3/c14-10-5-22-23(11(10)4-21)6-7-1-8(12(15,16)17)3-9(2-7)13(18,19)20/h1-3,5H,6H2