1-[(4-methoxy-3-nitro-phenyl)methyl]-2-(phenylmethylsulfanyl)benzimidazole

Systemtic Name: 1-[(4-methoxy-3-nitro-phenyl)methyl]-2-(phenylmethylsulfanyl)benzimidazole Openeye Name: 2-benzylsulfanyl-1-[(4-methoxy-3-nitro-phenyl)methyl]benzimidazole CAS Name: 1-[(4-methoxy-3-nitrophenyl)methyl]-2-(phenylmethylthio)benzimidazole IUPAC Name: 2-benzylsulfanyl-1-[(4-methoxy-3-nitrophenyl)methyl]benzimidazole Traditional Name: 2-(benzylthio)-1-(4-methoxy-3-nitro-benzyl)benzimidazole Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O3S/c1-28-21-12-11-17(13-20(21)25(26)27)14-24-19-10-6-5-9-18(19)23-22(24)29-15-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3