3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-phenylsulfanyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-phenylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-phenylsulfanyl-imidazole-4-carboxylic acid CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]-2-(phenylthio)-4-imidazolecarboxylic acid IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-phenylsulfanylimidazole-4-carboxylic acid Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]-2-(phenylthio)imidazole-4-carboxylic acid Formula: C25H19ClN2O5S2 MolecularWeight: 527.01176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(N(C(=N2)SC3=CC=CC=C3)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(N(C(=N2)SC3=CC=CC=C3)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O

InChI

InChI=1S/C25H19ClN2O5S2/c1-31-16-7-9-18(10-8-16)34-23-22(24(29)30)28(25(27-23)35-17-5-3-2-4-6-17)13-15-11-20-21(12-19(15)26)33-14-32-20/h2-12H,13-14H2,1H3,(H,29,30)