3-[(2,5-dimethylphenyl)sulfanylmethyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[(2,5-dimethylphenyl)sulfanylmethyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[(2,5-dimethylphenyl)sulfanylmethyl]-4-fluoro-benzonitrile CAS Name: 3-[[(2,5-dimethylphenyl)thio]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[(2,5-dimethylphenyl)sulfanylmethyl]-4-fluorobenzonitrile Traditional Name: 3-[[(2,5-dimethylphenyl)thio]methyl]-4-fluoro-benzonitrile Formula: C16H14FNS MolecularWeight: 271.352463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C16H14FNS/c1-11-3-4-12(2)16(7-11)19-10-14-8-13(9-18)5-6-15(14)17/h3-8H,10H2,1-2H3