2-(4-methylsulfonyl-2,6-dinitro-phenyl)sulfanyl-1H-benzimidazole

Systemtic Name: 2-(4-methylsulfonyl-2,6-dinitro-phenyl)sulfanyl-1H-benzimidazole Openeye Name: 2-(4-methylsulfonyl-2,6-dinitro-phenyl)sulfanyl-1H-benzimidazole CAS Name: 2-[(4-methylsulfonyl-2,6-dinitrophenyl)thio]-1H-benzimidazole IUPAC Name: 2-(4-methylsulfonyl-2,6-dinitrophenyl)sulfanyl-1H-benzimidazole Traditional Name: 2-[(4-mesyl-2,6-dinitro-phenyl)thio]-1H-benzimidazole Formula: C14H10N4O6S2 MolecularWeight: 394.3824

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O6S2/c1-26(23,24)8-6-11(17(19)20)13(12(7-8)18(21)22)25-14-15-9-4-2-3-5-10(9)16-14/h2-7H,1H3,(H,15,16)