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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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