1-(2-methoxyphenyl)-5-nitro-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole

Systemtic Name: 1-(2-methoxyphenyl)-5-nitro-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole Openeye Name: 1-(2-methoxyphenyl)-5-nitro-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole CAS Name: 1-(2-methoxyphenyl)-5-nitro-2-[(3-nitrophenyl)methylthio]benzimidazole IUPAC Name: 1-(2-methoxyphenyl)-5-nitro-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole Traditional Name: 1-(2-methoxyphenyl)-5-nitro-2-[(3-nitrobenzyl)thio]benzimidazole Formula: C21H16N4O5S MolecularWeight: 436.44054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5S/c1-30-20-8-3-2-7-19(20)23-18-10-9-16(25(28)29)12-17(18)22-21(23)31-13-14-5-4-6-15(11-14)24(26)27/h2-12H,13H2,1H3