2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanylethanenitrile

Systemtic Name: 2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanylethanenitrile Openeye Name: 2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanylacetonitrile CAS Name: 2-[[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]thio]acetonitrile IUPAC Name: 2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanylacetonitrile Traditional Name: 2-[[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]thio]acetonitrile Formula: C21H14F3NS MolecularWeight: 369.40277

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)SCC#N)F

Isomeric SMILES

C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)SCC#N)F

InChI

InChI=1S/C21H14F3NS/c22-17-9-5-15(6-10-17)21(26-14-13-25,16-7-11-18(23)12-8-16)19-3-1-2-4-20(19)24/h1-12H,14H2