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

Systemtic Name: 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]butanoic acid Openeye Name: 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]butanoic acid CAS Name: 4-[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]butanoic acid IUPAC Name: 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]butanoic acid Traditional Name: 4-[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]butyric acid Formula: C17H21ClN2O2S MolecularWeight: 352.87884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O2S/c1-2-10-23-17-19-11-14(7-5-9-16(21)22)20(17)12-13-6-3-4-8-15(13)18/h3-4,6,8,11H,2,5,7,9-10,12H2,1H3,(H,21,22)