6-isothiocyanato-3-(2-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane

Systemtic Name: 6-isothiocyanato-3-(2-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane Openeye Name: 6-isothiocyanato-3-(o-tolylsulfonyl)-3-azabicyclo[3.1.0]hexane CAS Name: 6-isothiocyanato-3-(2-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane IUPAC Name: 6-isothiocyanato-3-(2-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane Traditional Name: 6-isothiocyanato-3-(o-tolylsulfonyl)-3-azabicyclo[3.1.0]hexane Formula: C13H14N2O2S2 MolecularWeight: 294.39246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N2CC3C(C2)C3N=C=S

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2CC3C(C2)C3N=C=S

InChI

InChI=1S/C13H14N2O2S2/c1-9-4-2-3-5-12(9)19(16,17)15-6-10-11(7-15)13(10)14-8-18/h2-5,10-11,13H,6-7H2,1H3