(2S)-2-(4-fluoranyl-3-methyl-phenyl)-3-methyl-butanenitrile

Systemtic Name: (2S)-2-(4-fluoranyl-3-methyl-phenyl)-3-methyl-butanenitrile Openeye Name: (2S)-2-(4-fluoro-3-methyl-phenyl)-3-methyl-butanenitrile CAS Name: (2S)-2-(4-fluoro-3-methylphenyl)-3-methylbutanenitrile IUPAC Name: (2S)-2-(4-fluoro-3-methylphenyl)-3-methylbutanenitrile Traditional Name: (2S)-2-(4-fluoro-3-methyl-phenyl)-3-methyl-butyronitrile Formula: C12H14FN MolecularWeight: 191.244663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C#N)C(C)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)[C@@H](C#N)C(C)C)F

InChI

InChI=1S/C12H14FN/c1-8(2)11(7-14)10-4-5-12(13)9(3)6-10/h4-6,8,11H,1-3H3/t11-/m0/s1