4-isocyanato-3-[[2,4,5-tris(fluoranyl)phenyl]methoxymethyl]naphthalene-1-thiol

Systemtic Name: 4-isocyanato-3-[[2,4,5-tris(fluoranyl)phenyl]methoxymethyl]naphthalene-1-thiol Openeye Name: 4-isocyanato-3-[(2,4,5-trifluorophenyl)methoxymethyl]naphthalene-1-thiol CAS Name: 4-isocyanato-3-[(2,4,5-trifluorophenyl)methoxymethyl]-1-naphthalenethiol IUPAC Name: 4-isocyanato-3-[(2,4,5-trifluorophenyl)methoxymethyl]naphthalene-1-thiol Traditional Name: 4-isocyanato-3-[(2,4,5-trifluorobenzyl)oxymethyl]naphthalene-1-thiol Formula: C19H12F3NO2S MolecularWeight: 375.36429

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2N=C=O)COCC3=CC(=C(C=C3F)F)F)S

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2N=C=O)COCC3=CC(=C(C=C3F)F)F)S

InChI

InChI=1S/C19H12F3NO2S/c20-15-7-17(22)16(21)5-11(15)8-25-9-12-6-18(26)13-3-1-2-4-14(13)19(12)23-10-24/h1-7,26H,8-9H2