5,6-dimethyl-1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]benzimidazole

Systemtic Name: 5,6-dimethyl-1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]benzimidazole Openeye Name: 5,6-dimethyl-1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]benzimidazole CAS Name: 5,6-dimethyl-1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]benzimidazole IUPAC Name: 5,6-dimethyl-1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]benzimidazole Traditional Name: 5,6-dimethyl-1-(2-nitro-4-triflyl-phenyl)benzimidazole Formula: C16H12F3N3O4S MolecularWeight: 399.34439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12F3N3O4S/c1-9-5-12-14(6-10(9)2)21(8-20-12)13-4-3-11(7-15(13)22(23)24)27(25,26)16(17,18)19/h3-8H,1-2H3