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

Systemtic Name: 2-butyl-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-cyclohexylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-cyclohexylsulfanyl-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(cyclohexylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-cyclohexylsulfanylimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(cyclohexylthio)imidazole-4-carboxylic acid Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SC4CCCCC4

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SC4CCCCC4

InChI

InChI=1S/C22H27ClN2O4S/c1-2-3-9-19-24-21(30-15-7-5-4-6-8-15)20(22(26)27)25(19)12-14-10-17-18(11-16(14)23)29-13-28-17/h10-11,15H,2-9,12-13H2,1H3,(H,26,27)