2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[5-nitro-1-[3-(trifluoromethyl)phenyl]-2-benzimidazolyl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]thio]methyl]-1,3-benzothiazole Formula: C22H13F3N4O2S2 MolecularWeight: 486.48943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CSC3=NC4=C(N3C5=CC=CC(=C5)C(F)(F)F)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CSC3=NC4=C(N3C5=CC=CC(=C5)C(F)(F)F)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H13F3N4O2S2/c23-22(24,25)13-4-3-5-14(10-13)28-18-9-8-15(29(30)31)11-17(18)27-21(28)32-12-20-26-16-6-1-2-7-19(16)33-20/h1-11H,12H2