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

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-isopropylphenyl)sulfanylmethyl]-2-propyl-imidazole-4-carboxylic acid CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[[(4-propan-2-ylphenyl)thio]methyl]-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(p-cumenylthio)methyl]-2-propyl-imidazole-4-carboxylic acid Formula: C25H27ClN2O4S MolecularWeight: 487.01088

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)CSC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)CSC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C25H27ClN2O4S/c1-4-5-23-27-20(13-33-18-8-6-16(7-9-18)15(2)3)24(25(29)30)28(23)12-17-10-21-22(11-19(17)26)32-14-31-21/h6-11,15H,4-5,12-14H2,1-3H3,(H,29,30)