2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methylsulfanyl]propanoic acid

Systemtic Name: 2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methylsulfanyl]propanoic acid Openeye Name: 2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methylsulfanyl]propanoic acid CAS Name: 2-[[1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]methylthio]propanoic acid IUPAC Name: 2-[[1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]methylsulfanyl]propanoic acid Traditional Name: 2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methylthio]propionic acid Formula: C17H14FN3O4S MolecularWeight: 375.374163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=NC2=C(N1C3=CC=C(C=C3)F)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)SCC1=NC2=C(N1C3=CC=C(C=C3)F)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14FN3O4S/c1-10(17(22)23)26-9-16-19-14-8-13(21(24)25)6-7-15(14)20(16)12-4-2-11(18)3-5-12/h2-8,10H,9H2,1H3,(H,22,23)