(2E)-3-(2-bromanyl-1-pyridin-3-yl-ethyl)-2-(nitromethylidene)-1,3-thiazinane

Systemtic Name: (2E)-3-(2-bromanyl-1-pyridin-3-yl-ethyl)-2-(nitromethylidene)-1,3-thiazinane Openeye Name: (2E)-3-[2-bromo-1-(3-pyridyl)ethyl]-2-(nitromethylene)-1,3-thiazinane CAS Name: (2E)-3-[2-bromo-1-(3-pyridinyl)ethyl]-2-(nitromethylidene)-1,3-thiazinane IUPAC Name: (2E)-3-(2-bromo-1-pyridin-3-ylethyl)-2-(nitromethylidene)-1,3-thiazinane Traditional Name: (2E)-3-[2-bromo-1-(3-pyridyl)ethyl]-2-(nitromethylene)-1,3-thiazinane Formula: C12H14BrN3O2S MolecularWeight: 344.22746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=C[N+](=O)[O-])SC1)C(CBr)C2=CN=CC=C2

Isomeric SMILES

C1CN(/C(=C\[N+](=O)[O-])/SC1)C(CBr)C2=CN=CC=C2

InChI

InChI=1S/C12H14BrN3O2S/c13-7-11(10-3-1-4-14-8-10)15-5-2-6-19-12(15)9-16(17)18/h1,3-4,8-9,11H,2,5-7H2/b12-9+