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

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-imidazole-4-carbaldehyde Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-imidazole-4-carbaldehyde CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylthio]-2-phenyl-4-imidazolecarboxaldehyde IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-phenylimidazole-4-carbaldehyde Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(p-anisylthio)-2-phenyl-imidazole-4-carbaldehyde Formula: C26H21ClN2O4S MolecularWeight: 492.97394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=C(N(C(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4Cl)OCO5)C=O

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=C(N(C(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4Cl)OCO5)C=O

InChI

InChI=1S/C26H21ClN2O4S/c1-31-20-9-7-17(8-10-20)15-34-26-22(14-30)29(25(28-26)18-5-3-2-4-6-18)13-19-11-23-24(12-21(19)27)33-16-32-23/h2-12,14H,13,15-16H2,1H3