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

Systemtic Name: 5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyloxy)phenyl]-4-ethynyl-pyrazole-3-carbonitrile Openeye Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-ethynyl-pyrazole-3-carbonitrile CAS Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-ethynyl-3-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-ethynylpyrazole-3-carbonitrile Traditional Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-ethynyl-pyrazole-3-carbonitrile Formula: C13H5Cl2F3N4O MolecularWeight: 361.10621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H5Cl2F3N4O/c1-2-7-10(5-19)21-22(12(7)20)11-8(14)3-6(4-9(11)15)23-13(16,17)18/h1,3-4H,20H2