(NZ)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-fluoranyl-benzenesulfonamide

Systemtic Name: (NZ)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-fluoranyl-benzenesulfonamide Openeye Name: (NZ)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-fluoro-benzenesulfonamide CAS Name: (NZ)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-fluorobenzenesulfonamide IUPAC Name: (NZ)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-fluorobenzenesulfonamide Traditional Name: (NZ)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-fluoro-benzenesulfonamide Formula: C17H16FN3O5S2 MolecularWeight: 425.454443

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOCCN\1C2=C(C=C(C=C2)[N+](=O)[O-])S/C1=N\S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN3O5S2/c1-2-26-10-9-20-15-8-5-13(21(22)23)11-16(15)27-17(20)19-28(24,25)14-6-3-12(18)4-7-14/h3-8,11H,2,9-10H2,1H3/b19-17-