5-(1,3-benzodioxol-5-ylsulfanyl)-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-propyl-imidazole-4-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-ylsulfanyl)-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-propyl-imidazole-4-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-ylsulfanyl)-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-imidazole-4-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-ylthio)-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-ylsulfanyl)-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propylimidazole-4-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-ylthio)-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-imidazole-4-carboxylic acid Formula: C22H19ClN2O6S MolecularWeight: 474.91406

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H19ClN2O6S/c1-2-3-19-24-21(32-13-4-5-15-17(7-13)30-10-28-15)20(22(26)27)25(19)9-12-6-16-18(8-14(12)23)31-11-29-16/h4-8H,2-3,9-11H2,1H3,(H,26,27)