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

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-phenylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-phenylsulfanyl-imidazole-4-carboxylic acid CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylthio]-2-(phenylthio)-4-imidazolecarboxylic acid IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-phenylsulfanylimidazole-4-carboxylic acid Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(p-anisylthio)-2-(phenylthio)imidazole-4-carboxylic acid Formula: C26H21ClN2O5S2 MolecularWeight: 541.03834

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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)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)O

InChI

InChI=1S/C26H21ClN2O5S2/c1-32-18-9-7-16(8-10-18)14-35-24-23(25(30)31)29(26(28-24)36-19-5-3-2-4-6-19)13-17-11-21-22(12-20(17)27)34-15-33-21/h2-12H,13-15H2,1H3,(H,30,31)