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

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-3-(phenylmethyl)-1H-imidazol-3-ium Openeye Name: 3-benzyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-imidazol-3-ium CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-3-(phenylmethyl)-1H-imidazol-3-ium IUPAC Name: 3-benzyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-imidazol-3-ium Traditional Name: 3-benzyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-imidazol-3-ium Formula: C17H13F3N3O2S+ MolecularWeight: 380.36423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(NC=C2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC=C2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12F3N3O2S/c18-17(19,20)13-6-7-15(14(10-13)23(24)25)26-16-21-8-9-22(16)11-12-4-2-1-3-5-12/h1-10H,11H2/p+1