2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]methyl]propanedioic acid

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]methyl]propanedioic acid Openeye Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]methyl]propanedioic acid CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]methyl]propanedioic acid IUPAC Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]methyl]propanedioic acid Traditional Name: 2-[[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]methyl]malonic acid Formula: C17H19ClN2O4S MolecularWeight: 382.86176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)CC(C(=O)O)C(=O)O

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C17H19ClN2O4S/c1-2-7-25-17-19-9-12(8-13(15(21)22)16(23)24)20(17)10-11-5-3-4-6-14(11)18/h3-6,9,13H,2,7-8,10H2,1H3,(H,21,22)(H,23,24)