2-[2,5-bis(fluoranyl)phenyl]sulfanyl-4-tert-butyl-cyclohexane-1-carbonitrile

Systemtic Name: 2-[2,5-bis(fluoranyl)phenyl]sulfanyl-4-tert-butyl-cyclohexane-1-carbonitrile Openeye Name: 4-tert-butyl-2-(2,5-difluorophenyl)sulfanyl-cyclohexanecarbonitrile CAS Name: 4-tert-butyl-2-[(2,5-difluorophenyl)thio]-1-cyclohexanecarbonitrile IUPAC Name: 4-tert-butyl-2-(2,5-difluorophenyl)sulfanylcyclohexane-1-carbonitrile Traditional Name: 4-tert-butyl-2-[(2,5-difluorophenyl)thio]cyclohexanecarbonitrile Formula: C17H21F2NS MolecularWeight: 309.417146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(C(C1)SC2=C(C=CC(=C2)F)F)C#N

Isomeric SMILES

CC(C)(C)C1CCC(C(C1)SC2=C(C=CC(=C2)F)F)C#N

InChI

InChI=1S/C17H21F2NS/c1-17(2,3)12-5-4-11(10-20)15(8-12)21-16-9-13(18)6-7-14(16)19/h6-7,9,11-12,15H,4-5,8H2,1-3H3