3-(tert-butylsulfanylmethyl)-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-(tert-butylsulfanylmethyl)-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-(tert-butylsulfanylmethyl)-4-fluoro-benzonitrile CAS Name: 3-[(tert-butylthio)methyl]-4-fluorobenzonitrile IUPAC Name: 3-(tert-butylsulfanylmethyl)-4-fluorobenzonitrile Traditional Name: 3-[(tert-butylthio)methyl]-4-fluoro-benzonitrile Formula: C12H14FNS MolecularWeight: 223.309663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=C(C=CC(=C1)C#N)F

Isomeric SMILES

CC(C)(C)SCC1=C(C=CC(=C1)C#N)F

InChI

InChI=1S/C12H14FNS/c1-12(2,3)15-8-10-6-9(7-14)4-5-11(10)13/h4-6H,8H2,1-3H3