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

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-phenylsulfanyl-2-propan-2-yl-imidazole-4-carboxylic acid Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-isopropyl-5-phenylsulfanyl-imidazole-4-carboxylic acid CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(phenylthio)-2-propan-2-yl-4-imidazolecarboxylic acid IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenylsulfanyl-2-propan-2-ylimidazole-4-carboxylic acid Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-isopropyl-5-(phenylthio)imidazole-4-carboxylic acid Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SC4=CC=CC=C4

InChI

InChI=1S/C21H19ClN2O4S/c1-12(2)19-23-20(29-14-6-4-3-5-7-14)18(21(25)26)24(19)10-13-8-16-17(9-15(13)22)28-11-27-16/h3-9,12H,10-11H2,1-2H3,(H,25,26)