N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-2-fluoro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]-2-fluorobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-fluorobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitro-phenyl]-2-fluoro-benzamide Formula: C20H12FN3O3S2 MolecularWeight: 425.455983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC(=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC(=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-])F

InChI

InChI=1S/C20H12FN3O3S2/c21-16-6-2-1-5-15(16)19(25)22-12-9-13(24(26)27)11-14(10-12)28-20-23-17-7-3-4-8-18(17)29-20/h1-11H,(H,22,25)