2-(2,4-dinitrophenyl)sulfanyl-5-methyl-1-(4-methylphenyl)sulfonyl-benzimidazole

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanyl-5-methyl-1-(4-methylphenyl)sulfonyl-benzimidazole Openeye Name: 2-(2,4-dinitrophenyl)sulfanyl-5-methyl-1-(p-tolylsulfonyl)benzimidazole CAS Name: 2-[(2,4-dinitrophenyl)thio]-5-methyl-1-(4-methylphenyl)sulfonylbenzimidazole IUPAC Name: 2-(2,4-dinitrophenyl)sulfanyl-5-methyl-1-(4-methylphenyl)sulfonylbenzimidazole Traditional Name: 2-[(2,4-dinitrophenyl)thio]-5-methyl-1-tosyl-benzimidazole Formula: C21H16N4O6S2 MolecularWeight: 484.50494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C)N=C2SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C)N=C2SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O6S2/c1-13-3-7-16(8-4-13)33(30,31)23-18-9-5-14(2)11-17(18)22-21(23)32-20-10-6-15(24(26)27)12-19(20)25(28)29/h3-12H,1-2H3