4,7-dimethoxy-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 4,7-dimethoxy-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1H-benzimidazole Openeye Name: 4,7-dimethoxy-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1H-benzimidazole CAS Name: 4,7-dimethoxy-2-[(4-methoxy-3-nitrophenyl)methylthio]-1H-benzimidazole IUPAC Name: 4,7-dimethoxy-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1H-benzimidazole Traditional Name: 4,7-dimethoxy-2-[(4-methoxy-3-nitro-benzyl)thio]-1H-benzimidazole Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC3=C(C=CC(=C3N2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC3=C(C=CC(=C3N2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c1-23-12-5-4-10(8-11(12)20(21)22)9-26-17-18-15-13(24-2)6-7-14(25-3)16(15)19-17/h4-8H,9H2,1-3H3,(H,18,19)