2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-benzimidazol-3-ium

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-benzimidazol-3-ium Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-benzimidazol-3-ium CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-benzimidazol-3-ium IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-benzimidazol-3-ium Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-benzimidazol-3-ium Formula: C14H9F3N3O2S+ MolecularWeight: 340.30037

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H8F3N3O2S/c15-14(16,17)8-5-6-12(11(7-8)20(21)22)23-13-18-9-3-1-2-4-10(9)19-13/h1-7H,(H,18,19)/p+1