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

Systemtic Name: 3-isocyanato-3-[[2,4,5-tris(fluoranyl)phenyl]methoxymethyl]-4H-naphthalene-1-thiol Openeye Name: 3-isocyanato-3-[(2,4,5-trifluorophenyl)methoxymethyl]-4H-naphthalene-1-thiol CAS Name: 3-isocyanato-3-[(2,4,5-trifluorophenyl)methoxymethyl]-4H-naphthalene-1-thiol IUPAC Name: 3-isocyanato-3-[(2,4,5-trifluorophenyl)methoxymethyl]-4H-naphthalene-1-thiol Traditional Name: 3-isocyanato-3-[(2,4,5-trifluorobenzyl)oxymethyl]-4H-naphthalene-1-thiol Formula: C19H14F3NO2S MolecularWeight: 377.38017

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=CC1(COCC3=CC(=C(C=C3F)F)F)N=C=O)S

Isomeric SMILES

C1C2=CC=CC=C2C(=CC1(COCC3=CC(=C(C=C3F)F)F)N=C=O)S

InChI

InChI=1S/C19H14F3NO2S/c20-15-6-17(22)16(21)5-13(15)9-25-10-19(23-11-24)7-12-3-1-2-4-14(12)18(26)8-19/h1-6,8,26H,7,9-10H2