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

Systemtic Name: 1-[2,6-bis(chloranyl)-4-(trifluoromethyloxy)phenyl]-4-ethynyl-pyrazole-3-carbonitrile Openeye Name: 1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-ethynyl-pyrazole-3-carbonitrile CAS Name: 1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-ethynyl-3-pyrazolecarbonitrile IUPAC Name: 1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-ethynylpyrazole-3-carbonitrile Traditional Name: 1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-ethynyl-pyrazole-3-carbonitrile Formula: C13H4Cl2F3N3O MolecularWeight: 346.09157

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H4Cl2F3N3O/c1-2-7-6-21(20-11(7)5-19)12-9(14)3-8(4-10(12)15)22-13(16,17)18/h1,3-4,6H