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

Systemtic Name: 5-azanyl-1-[4-butan-2-yl-2,3,5,6-tetrakis(fluoranyl)phenyl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(2,3,5,6-tetrafluoro-4-sec-butyl-phenyl)pyrazole-4-carbonitrile CAS Name: 5-amino-1-(4-butan-2-yl-2,3,5,6-tetrafluorophenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(4-butan-2-yl-2,3,5,6-tetrafluorophenyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(2,3,5,6-tetrafluoro-4-sec-butyl-phenyl)pyrazole-4-carbonitrile Formula: C14H12F4N4 MolecularWeight: 312.265493

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C(=C(C(=C1F)F)N2C(=C(C=N2)C#N)N)F)F

Isomeric SMILES

CCC(C)C1=C(C(=C(C(=C1F)F)N2C(=C(C=N2)C#N)N)F)F

InChI

InChI=1S/C14H12F4N4/c1-3-6(2)8-9(15)11(17)13(12(18)10(8)16)22-14(20)7(4-19)5-21-22/h5-6H,3,20H2,1-2H3