4-[2-(2,4-dichlorophenyl)-3-imidazol-1-yl-2-oxidanyl-propyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(2,4-dichlorophenyl)-3-imidazol-1-yl-2-oxidanyl-propyl]sulfanylbutanoic acid Openeye Name: 4-[2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-yl-propyl]sulfanylbutanoic acid CAS Name: 4-[[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1-imidazolyl)propyl]thio]butanoic acid IUPAC Name: 4-[2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-ylpropyl]sulfanylbutanoic acid Traditional Name: 4-[[2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-yl-propyl]thio]butyric acid Formula: C16H18Cl2N2O3S MolecularWeight: 389.29672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)(CSCCCC(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)(CSCCCC(=O)O)O

InChI

InChI=1S/C16H18Cl2N2O3S/c17-12-3-4-13(14(18)8-12)16(23,9-20-6-5-19-11-20)10-24-7-1-2-15(21)22/h3-6,8,11,23H,1-2,7,9-10H2,(H,21,22)