1-(2-methyl-5-nitro-phenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-2-[(3-nitrophenyl)methylthio]benzimidazole IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-2-[(3-nitrobenzyl)thio]benzimidazole Formula: C21H16N4O6S2 MolecularWeight: 484.50494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O6S2/c1-14-9-10-17(25(28)29)12-20(14)33(30,31)23-19-8-3-2-7-18(19)22-21(23)32-13-15-5-4-6-16(11-15)24(26)27/h2-12H,13H2,1H3