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

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-imidazole-4-carboxylate Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-imidazole-4-carboxylate CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylthio]-2-phenyl-4-imidazolecarboxylate IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-phenylimidazole-4-carboxylate Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(p-anisylthio)-2-phenyl-imidazole-4-carboxylate Formula: C26H20ClN2O5S- MolecularWeight: 507.9654

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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)[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)[O-]

InChI

InChI=1S/C26H21ClN2O5S/c1-32-19-9-7-16(8-10-19)14-35-25-23(26(30)31)29(24(28-25)17-5-3-2-4-6-17)13-18-11-21-22(12-20(18)27)34-15-33-21/h2-12H,13-15H2,1H3,(H,30,31)/p-1