6-(isothiocyanatomethyl)-3-(phenylsulfonyl)-3-azabicyclo[3.1.0]hexane

Systemtic Name: 6-(isothiocyanatomethyl)-3-(phenylsulfonyl)-3-azabicyclo[3.1.0]hexane Openeye Name: 3-(benzenesulfonyl)-6-(isothiocyanatomethyl)-3-azabicyclo[3.1.0]hexane CAS Name: 3-(benzenesulfonyl)-6-(isothiocyanatomethyl)-3-azabicyclo[3.1.0]hexane IUPAC Name: 3-(benzenesulfonyl)-6-(isothiocyanatomethyl)-3-azabicyclo[3.1.0]hexane Traditional Name: 3-besyl-6-(isothiocyanatomethyl)-3-azabicyclo[3.1.0]hexane Formula: C13H14N2O2S2 MolecularWeight: 294.39246

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C2CN=C=S)CN1S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1C2C(C2CN=C=S)CN1S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C13H14N2O2S2/c16-19(17,10-4-2-1-3-5-10)15-7-12-11(6-14-9-18)13(12)8-15/h1-5,11-13H,6-8H2