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

Systemtic Name: 6-isothiocyanato-3-(phenylsulfonyl)-3-azabicyclo[3.1.0]hexane Openeye Name: 3-(benzenesulfonyl)-6-isothiocyanato-3-azabicyclo[3.1.0]hexane CAS Name: 3-(benzenesulfonyl)-6-isothiocyanato-3-azabicyclo[3.1.0]hexane IUPAC Name: 3-(benzenesulfonyl)-6-isothiocyanato-3-azabicyclo[3.1.0]hexane Traditional Name: 3-besyl-6-isothiocyanato-3-azabicyclo[3.1.0]hexane Formula: C12H12N2O2S2 MolecularWeight: 280.36588

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C2N=C=S)CN1S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1C2C(C2N=C=S)CN1S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C12H12N2O2S2/c15-18(16,9-4-2-1-3-5-9)14-6-10-11(7-14)12(10)13-8-17/h1-5,10-12H,6-7H2