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

Systemtic Name: 4-(2-isocyanatoethyl)-3-[[2,4,5-tris(fluoranyl)phenyl]methoxymethyl]benzenethiol Openeye Name: 4-(2-isocyanatoethyl)-3-[(2,4,5-trifluorophenyl)methoxymethyl]benzenethiol CAS Name: 4-(2-isocyanatoethyl)-3-[(2,4,5-trifluorophenyl)methoxymethyl]benzenethiol IUPAC Name: 4-(2-isocyanatoethyl)-3-[(2,4,5-trifluorophenyl)methoxymethyl]benzenethiol Traditional Name: 4-(2-isocyanatoethyl)-3-[(2,4,5-trifluorobenzyl)oxymethyl]benzenethiol Formula: C17H14F3NO2S MolecularWeight: 353.35877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F3NO2S/c18-15-7-17(20)16(19)6-13(15)9-23-8-12-5-14(24)2-1-11(12)3-4-21-10-22/h1-2,5-7,24H,3-4,8-9H2