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

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2,5-bis[(4-methoxyphenyl)methylsulfanyl]imidazole-4-carbaldehyde Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,5-bis[(4-methoxyphenyl)methylsulfanyl]imidazole-4-carbaldehyde CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,5-bis[(4-methoxyphenyl)methylthio]-4-imidazolecarboxaldehyde IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,5-bis[(4-methoxyphenyl)methylsulfanyl]imidazole-4-carbaldehyde Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,5-bis(p-anisylthio)imidazole-4-carbaldehyde Formula: C28H25ClN2O5S2 MolecularWeight: 569.0915

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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

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

InChI

InChI=1S/C28H25ClN2O5S2/c1-33-21-7-3-18(4-8-21)15-37-27-24(14-32)31(13-20-11-25-26(12-23(20)29)36-17-35-25)28(30-27)38-16-19-5-9-22(34-2)10-6-19/h3-12,14H,13,15-17H2,1-2H3