[7-nitro-3-oxidanidyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [7-nitro-3-oxidanidyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-yl]-thiomorpholin-4-yl-methanone Openeye Name: [7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-yl]-thiomorpholino-methanone CAS Name: [7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-yl]-thiomorpholin-4-ylmethanone IUPAC Name: [7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-yl]-thiomorpholin-4-ylmethanone Traditional Name: [7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-yl]-thiomorpholino-methanone Formula: C13H10F3N3O4S2 MolecularWeight: 393.36141

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)C2=[N+](C3=C(S2)C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CSCCN1C(=O)C2=[N+](C3=C(S2)C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H10F3N3O4S2/c14-13(15,16)7-5-8-10(9(6-7)19(22)23)25-12(18(8)21)11(20)17-1-3-24-4-2-17/h5-6H,1-4H2