2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole

Systemtic Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole Openeye Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole CAS Name: 2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]-1H-benzimidazole IUPAC Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole Traditional Name: 2-[(2-nitro-4-triflyl-phenyl)thio]-1H-benzimidazole Formula: C14H8F3N3O4S2 MolecularWeight: 403.35623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H8F3N3O4S2/c15-14(16,17)26(23,24)8-5-6-12(11(7-8)20(21)22)25-13-18-9-3-1-2-4-10(9)19-13/h1-7H,(H,18,19)