2-[3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]pentan-3-yl]-2-pentyl-propanedioate

Systemtic Name: 2-[3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]pentan-3-yl]-2-pentyl-propanedioate Openeye Name: 2-[1-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]-1-ethyl-propyl]-2-pentyl-propanedioate CAS Name: 2-[3-[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]pentan-3-yl]-2-pentylpropanedioate IUPAC Name: 2-[3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]pentan-3-yl]-2-pentylpropanedioate Traditional Name: 2-amyl-2-[1-[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]-1-ethyl-propyl]malonate Formula: C26H35ClN2O4S-2 MolecularWeight: 507.0851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)[O-])(C(=O)[O-])C(CC)(CC)C1=CN=C(N1CC2=CC=CC=C2Cl)SCCC

Isomeric SMILES

CCCCCC(C(=O)[O-])(C(=O)[O-])C(CC)(CC)C1=CN=C(N1CC2=CC=CC=C2Cl)SCCC

InChI

InChI=1S/C26H37ClN2O4S/c1-5-9-12-15-26(22(30)31,23(32)33)25(7-3,8-4)21-17-28-24(34-16-6-2)29(21)18-19-13-10-11-14-20(19)27/h10-11,13-14,17H,5-9,12,15-16,18H2,1-4H3,(H,30,31)(H,32,33)/p-2