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

Systemtic Name: 3-isocyanato-3-(phenylmethoxymethyl)-4H-naphthalene-1-thiol Openeye Name: 3-(benzyloxymethyl)-3-isocyanato-4H-naphthalene-1-thiol CAS Name: 3-isocyanato-3-(phenylmethoxymethyl)-4H-naphthalene-1-thiol IUPAC Name: 3-isocyanato-3-(phenylmethoxymethyl)-4H-naphthalene-1-thiol Traditional Name: 3-(benzoxymethyl)-3-isocyanato-4H-naphthalene-1-thiol Formula: C19H17NO2S MolecularWeight: 323.40878

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=CC1(COCC3=CC=CC=C3)N=C=O)S

Isomeric SMILES

C1C2=CC=CC=C2C(=CC1(COCC3=CC=CC=C3)N=C=O)S

InChI

InChI=1S/C19H17NO2S/c21-14-20-19(13-22-12-15-6-2-1-3-7-15)10-16-8-4-5-9-17(16)18(23)11-19/h1-9,11,23H,10,12-13H2