3-fluoranyl-4-isocyanato-3-(phenylmethoxymethyl)cyclohexa-1,5-diene-1-thiol

Systemtic Name: 3-fluoranyl-4-isocyanato-3-(phenylmethoxymethyl)cyclohexa-1,5-diene-1-thiol Openeye Name: 3-(benzyloxymethyl)-3-fluoro-4-isocyanato-cyclohexa-1,5-diene-1-thiol CAS Name: 3-fluoro-4-isocyanato-3-(phenylmethoxymethyl)-1-cyclohexa-1,5-dienethiol IUPAC Name: 3-fluoro-4-isocyanato-3-(phenylmethoxymethyl)cyclohexa-1,5-diene-1-thiol Traditional Name: 3-(benzoxymethyl)-3-fluoro-4-isocyanato-cyclohexa-1,5-diene-1-thiol Formula: C15H14FNO2S MolecularWeight: 291.340563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2(C=C(C=CC2N=C=O)S)F

Isomeric SMILES

C1=CC=C(C=C1)COCC2(C=C(C=CC2N=C=O)S)F

InChI

InChI=1S/C15H14FNO2S/c16-15(8-13(20)6-7-14(15)17-11-18)10-19-9-12-4-2-1-3-5-12/h1-8,14,20H,9-10H2