5,6-dimethyl-1-(4-methylsulfonyl-2-nitro-phenyl)benzimidazole

Systemtic Name: 5,6-dimethyl-1-(4-methylsulfonyl-2-nitro-phenyl)benzimidazole Openeye Name: 5,6-dimethyl-1-(4-methylsulfonyl-2-nitro-phenyl)benzimidazole CAS Name: 5,6-dimethyl-1-(4-methylsulfonyl-2-nitrophenyl)benzimidazole IUPAC Name: 5,6-dimethyl-1-(4-methylsulfonyl-2-nitrophenyl)benzimidazole Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-5,6-dimethyl-benzimidazole Formula: C16H15N3O4S MolecularWeight: 345.373

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S/c1-10-6-13-15(7-11(10)2)18(9-17-13)14-5-4-12(24(3,22)23)8-16(14)19(20)21/h4-9H,1-3H3