4-isocyanato-3-(phenylmethoxymethyl)naphthalene-1-thiol

Systemtic Name: 4-isocyanato-3-(phenylmethoxymethyl)naphthalene-1-thiol Openeye Name: 3-(benzyloxymethyl)-4-isocyanato-naphthalene-1-thiol CAS Name: 4-isocyanato-3-(phenylmethoxymethyl)-1-naphthalenethiol IUPAC Name: 4-isocyanato-3-(phenylmethoxymethyl)naphthalene-1-thiol Traditional Name: 3-(benzoxymethyl)-4-isocyanato-naphthalene-1-thiol Formula: C19H15NO2S MolecularWeight: 321.3929

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=C(C3=CC=CC=C3C(=C2)S)N=C=O

Isomeric SMILES

C1=CC=C(C=C1)COCC2=C(C3=CC=CC=C3C(=C2)S)N=C=O

InChI

InChI=1S/C19H15NO2S/c21-13-20-19-15(12-22-11-14-6-2-1-3-7-14)10-18(23)16-8-4-5-9-17(16)19/h1-10,23H,11-12H2