3-[(4-tert-butylphenyl)sulfanylmethyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[(4-tert-butylphenyl)sulfanylmethyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[(4-tert-butylphenyl)sulfanylmethyl]-4-fluoro-benzonitrile CAS Name: 3-[[(4-tert-butylphenyl)thio]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[(4-tert-butylphenyl)sulfanylmethyl]-4-fluorobenzonitrile Traditional Name: 3-[[(4-tert-butylphenyl)thio]methyl]-4-fluoro-benzonitrile Formula: C18H18FNS MolecularWeight: 299.405623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C18H18FNS/c1-18(2,3)15-5-7-16(8-6-15)21-12-14-10-13(11-20)4-9-17(14)19/h4-10H,12H2,1-3H3