4-fluoranyl-3-[(phenylmethylsulfanyl)methyl]benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-[(phenylmethylsulfanyl)methyl]benzenecarbonitrile Openeye Name: 3-(benzylsulfanylmethyl)-4-fluoro-benzonitrile CAS Name: 4-fluoro-3-[(phenylmethylthio)methyl]benzonitrile IUPAC Name: 3-(benzylsulfanylmethyl)-4-fluorobenzonitrile Traditional Name: 3-[(benzylthio)methyl]-4-fluoro-benzonitrile Formula: C15H12FNS MolecularWeight: 257.325883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C15H12FNS/c16-15-7-6-13(9-17)8-14(15)11-18-10-12-4-2-1-3-5-12/h1-8H,10-11H2