1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-5-bromanyl-4-ethynyl-pyrazole-3-carbonitrile

Systemtic Name: 1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-5-bromanyl-4-ethynyl-pyrazole-3-carbonitrile Openeye Name: 5-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethynyl-pyrazole-3-carbonitrile CAS Name: 5-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethynyl-3-pyrazolecarbonitrile IUPAC Name: 5-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethynylpyrazole-3-carbonitrile Traditional Name: 5-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethynyl-pyrazole-3-carbonitrile Formula: C13H3BrCl2F3N3 MolecularWeight: 408.98823

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)Br

Isomeric SMILES

C#CC1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)Br

InChI

InChI=1S/C13H3BrCl2F3N3/c1-2-7-10(5-20)21-22(12(7)14)11-8(15)3-6(4-9(11)16)13(17,18)19/h1,3-4H