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

Systemtic Name: methyl 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-propylsulfanyl-imidazole-4-carboxylate Openeye Name: methyl 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-propylsulfanyl-imidazole-4-carboxylate CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]-2-(propylthio)-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-propylsulfanylimidazole-4-carboxylate Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]-2-(propylthio)imidazole-4-carboxylic acid methyl ester Formula: C23H23ClN2O5S2 MolecularWeight: 507.02212

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OC)SC4=CC=C(C=C4)OC

Isomeric SMILES

CCCSC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OC)SC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H23ClN2O5S2/c1-4-9-32-23-25-21(33-16-7-5-15(28-2)6-8-16)20(22(27)29-3)26(23)12-14-10-18-19(11-17(14)24)31-13-30-18/h5-8,10-11H,4,9,12-13H2,1-3H3