4-isocyanato-3-(phenylmethoxymethyl)benzenethiol

Systemtic Name: 4-isocyanato-3-(phenylmethoxymethyl)benzenethiol Openeye Name: 3-(benzyloxymethyl)-4-isocyanato-benzenethiol CAS Name: 4-isocyanato-3-(phenylmethoxymethyl)benzenethiol IUPAC Name: 4-isocyanato-3-(phenylmethoxymethyl)benzenethiol Traditional Name: 3-(benzoxymethyl)-4-isocyanato-benzenethiol Formula: C15H13NO2S MolecularWeight: 271.33422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO2S/c17-11-16-15-7-6-14(19)8-13(15)10-18-9-12-4-2-1-3-5-12/h1-8,19H,9-10H2