2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanenitrile

Systemtic Name: 2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanenitrile Openeye Name: 2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetonitrile CAS Name: 2-[1-[3-(trifluoromethyl)phenyl]-4-pyrazolyl]acetonitrile IUPAC Name: 2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetonitrile Traditional Name: 2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetonitrile Formula: C12H8F3N3 MolecularWeight: 251.20723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=C(C=N2)CC#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C=C(C=N2)CC#N)C(F)(F)F

InChI

InChI=1S/C12H8F3N3/c13-12(14,15)10-2-1-3-11(6-10)18-8-9(4-5-16)7-17-18/h1-3,6-8H,4H2