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

Systemtic Name: 1-[2,6-bis(chloranyl)-4-(trifluoromethyloxy)phenyl]-4-(2-bromanylethynyl)pyrazole-3-carbonitrile Openeye Name: 4-(2-bromoethynyl)-1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]pyrazole-3-carbonitrile CAS Name: 4-(2-bromoethynyl)-1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-3-pyrazolecarbonitrile IUPAC Name: 4-(2-bromoethynyl)-1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]pyrazole-3-carbonitrile Traditional Name: 4-(2-bromoethynyl)-1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]pyrazole-3-carbonitrile Formula: C13H3BrCl2F3N3O MolecularWeight: 424.98763

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)N2C=C(C(=N2)C#N)C#CBr)Cl)OC(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1Cl)N2C=C(C(=N2)C#N)C#CBr)Cl)OC(F)(F)F

InChI

InChI=1S/C13H3BrCl2F3N3O/c14-2-1-7-6-22(21-11(7)5-20)12-9(15)3-8(4-10(12)16)23-13(17,18)19/h3-4,6H