3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2,5-bis[(4-methoxyphenyl)methylsulfanyl]imidazole-4-carboxylate

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2,5-bis[(4-methoxyphenyl)methylsulfanyl]imidazole-4-carboxylate Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,5-bis[(4-methoxyphenyl)methylsulfanyl]imidazole-4-carboxylate CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,5-bis[(4-methoxyphenyl)methylthio]-4-imidazolecarboxylate IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,5-bis[(4-methoxyphenyl)methylsulfanyl]imidazole-4-carboxylate Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,5-bis(p-anisylthio)imidazole-4-carboxylate Formula: C28H24ClN2O6S2- MolecularWeight: 584.08296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=C(N(C(=N2)SCC3=CC=C(C=C3)OC)CC4=CC5=C(C=C4Cl)OCO5)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=C(N(C(=N2)SCC3=CC=C(C=C3)OC)CC4=CC5=C(C=C4Cl)OCO5)C(=O)[O-]

InChI

InChI=1S/C28H25ClN2O6S2/c1-34-20-7-3-17(4-8-20)14-38-26-25(27(32)33)31(13-19-11-23-24(12-22(19)29)37-16-36-23)28(30-26)39-15-18-5-9-21(35-2)10-6-18/h3-12H,13-16H2,1-2H3,(H,32,33)/p-1