5-azanyl-1-[2,3,5,6-tetrakis(fluoranyl)-4-prop-2-enyl-phenyl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[2,3,5,6-tetrakis(fluoranyl)-4-prop-2-enyl-phenyl]pyrazole-4-carbonitrile Openeye Name: 1-(4-allyl-2,3,5,6-tetrafluoro-phenyl)-5-amino-pyrazole-4-carbonitrile CAS Name: 5-amino-1-(2,3,5,6-tetrafluoro-4-prop-2-enylphenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(2,3,5,6-tetrafluoro-4-prop-2-enylphenyl)pyrazole-4-carbonitrile Traditional Name: 1-(4-allyl-2,3,5,6-tetrafluoro-phenyl)-5-amino-pyrazole-4-carbonitrile Formula: C13H8F4N4 MolecularWeight: 296.223033

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C(=C(C(=C1F)F)N2C(=C(C=N2)C#N)N)F)F

Isomeric SMILES

C=CCC1=C(C(=C(C(=C1F)F)N2C(=C(C=N2)C#N)N)F)F

InChI

InChI=1S/C13H8F4N4/c1-2-3-7-8(14)10(16)12(11(17)9(7)15)21-13(19)6(4-18)5-20-21/h2,5H,1,3,19H2