3-[4-[2-(5-fluoranyl-2-nitro-phenyl)ethyl]piperazin-1-yl]-1,2-benzothiazole

Systemtic Name: 3-[4-[2-(5-fluoranyl-2-nitro-phenyl)ethyl]piperazin-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[2-(5-fluoro-2-nitro-phenyl)ethyl]piperazin-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[2-(5-fluoro-2-nitrophenyl)ethyl]-1-piperazinyl]-1,2-benzothiazole IUPAC Name: 3-[4-[2-(5-fluoro-2-nitrophenyl)ethyl]piperazin-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[2-(5-fluoro-2-nitro-phenyl)ethyl]piperazino]-1,2-benzothiazole Formula: C19H19FN4O2S MolecularWeight: 386.443163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=C(C=CC(=C2)F)[N+](=O)[O-])C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCC2=C(C=CC(=C2)F)[N+](=O)[O-])C3=NSC4=CC=CC=C43

InChI

InChI=1S/C19H19FN4O2S/c20-15-5-6-17(24(25)26)14(13-15)7-8-22-9-11-23(12-10-22)19-16-3-1-2-4-18(16)27-21-19/h1-6,13H,7-12H2