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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=CC(=CC(=C3)[N+](=O)[O-])NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=CC(=CC(=C3)[N+](=O)[O-])NC(=O)C4=CC(=CC=C4)F

InChI

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