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

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-phenyl-imidazole-4-carboxylate Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-phenyl-imidazole-4-carboxylate CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]-2-phenyl-4-imidazolecarboxylate IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-phenylimidazole-4-carboxylate Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]-2-phenyl-imidazole-4-carboxylate Formula: C25H18ClN2O5S- MolecularWeight: 493.93882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(N(C(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4Cl)OCO5)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(N(C(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4Cl)OCO5)C(=O)[O-]

InChI

InChI=1S/C25H19ClN2O5S/c1-31-17-7-9-18(10-8-17)34-24-22(25(29)30)28(23(27-24)15-5-3-2-4-6-15)13-16-11-20-21(12-19(16)26)33-14-32-20/h2-12H,13-14H2,1H3,(H,29,30)/p-1