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

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-phenylsulfanyl-imidazole-4-carbaldehyde Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-phenylsulfanyl-imidazole-4-carbaldehyde CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylthio]-2-(phenylthio)-4-imidazolecarboxaldehyde IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-phenylsulfanylimidazole-4-carbaldehyde Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(p-anisylthio)-2-(phenylthio)imidazole-4-carbaldehyde Formula: C26H21ClN2O4S2 MolecularWeight: 525.03894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=C(N(C(=N2)SC3=CC=CC=C3)CC4=CC5=C(C=C4Cl)OCO5)C=O

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=C(N(C(=N2)SC3=CC=CC=C3)CC4=CC5=C(C=C4Cl)OCO5)C=O

InChI

InChI=1S/C26H21ClN2O4S2/c1-31-19-9-7-17(8-10-19)15-34-25-22(14-30)29(26(28-25)35-20-5-3-2-4-6-20)13-18-11-23-24(12-21(18)27)33-16-32-23/h2-12,14H,13,15-16H2,1H3