6-methylsulfonyl-4-nitro-2-(trifluoromethyl)-1H-benzimidazole

Systemtic Name: 6-methylsulfonyl-4-nitro-2-(trifluoromethyl)-1H-benzimidazole Openeye Name: 6-methylsulfonyl-4-nitro-2-(trifluoromethyl)-1H-benzimidazole CAS Name: 6-methylsulfonyl-4-nitro-2-(trifluoromethyl)-1H-benzimidazole IUPAC Name: 6-methylsulfonyl-4-nitro-2-(trifluoromethyl)-1H-benzimidazole Traditional Name: 6-mesyl-4-nitro-2-(trifluoromethyl)-1H-benzimidazole Formula: C9H6F3N3O4S MolecularWeight: 309.22185

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6F3N3O4S/c1-20(18,19)4-2-5-7(6(3-4)15(16)17)14-8(13-5)9(10,11)12/h2-3H,1H3,(H,13,14)