4-isocyanato-3-[[2,4,5-tris(fluoranyl)phenyl]methoxymethyl]benzenethiol

Systemtic Name: 4-isocyanato-3-[[2,4,5-tris(fluoranyl)phenyl]methoxymethyl]benzenethiol Openeye Name: 4-isocyanato-3-[(2,4,5-trifluorophenyl)methoxymethyl]benzenethiol CAS Name: 4-isocyanato-3-[(2,4,5-trifluorophenyl)methoxymethyl]benzenethiol IUPAC Name: 4-isocyanato-3-[(2,4,5-trifluorophenyl)methoxymethyl]benzenethiol Traditional Name: 4-isocyanato-3-[(2,4,5-trifluorobenzyl)oxymethyl]benzenethiol Formula: C15H10F3NO2S MolecularWeight: 325.30561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S)COCC2=CC(=C(C=C2F)F)F)N=C=O

Isomeric SMILES

C1=CC(=C(C=C1S)COCC2=CC(=C(C=C2F)F)F)N=C=O

InChI

InChI=1S/C15H10F3NO2S/c16-12-5-14(18)13(17)4-9(12)6-21-7-10-3-11(22)1-2-15(10)19-8-20/h1-5,22H,6-7H2