[5-[3,5-bis(chloranyl)phenyl]sulfanyl-1-ethyl-4-propan-2-yl-imidazol-2-yl]methyl octanoate

Systemtic Name: [5-[3,5-bis(chloranyl)phenyl]sulfanyl-1-ethyl-4-propan-2-yl-imidazol-2-yl]methyl octanoate Openeye Name: [5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-isopropyl-imidazol-2-yl]methyl octanoate CAS Name: octanoic acid [5-[(3,5-dichlorophenyl)thio]-1-ethyl-4-propan-2-yl-2-imidazolyl]methyl ester IUPAC Name: [5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl octanoate Traditional Name: caprylic acid [5-[(3,5-dichlorophenyl)thio]-1-ethyl-4-isopropyl-imidazol-2-yl]methyl ester Formula: C23H32Cl2N2O2S MolecularWeight: 471.48338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1=NC(=C(N1CC)SC2=CC(=CC(=C2)Cl)Cl)C(C)C

Isomeric SMILES

CCCCCCCC(=O)OCC1=NC(=C(N1CC)SC2=CC(=CC(=C2)Cl)Cl)C(C)C

InChI

InChI=1S/C23H32Cl2N2O2S/c1-5-7-8-9-10-11-21(28)29-15-20-26-22(16(3)4)23(27(20)6-2)30-19-13-17(24)12-18(25)14-19/h12-14,16H,5-11,15H2,1-4H3