4-[[2-butyl-5-[(2-hydroxyphenyl)carbonylsulfanylmethyl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-5-[(2-hydroxyphenyl)carbonylsulfanylmethyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-[(2-hydroxybenzoyl)sulfanylmethyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[[[(2-hydroxyphenyl)-oxomethyl]thio]methyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-[(2-hydroxybenzoyl)sulfanylmethyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-[(salicyloylthio)methyl]imidazol-1-yl]methyl]benzoic acid Formula: C23H24N2O4S MolecularWeight: 424.51266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CSC(=O)C3=CC=CC=C3O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CSC(=O)C3=CC=CC=C3O

InChI

InChI=1S/C23H24N2O4S/c1-2-3-8-21-24-13-18(15-30-23(29)19-6-4-5-7-20(19)26)25(21)14-16-9-11-17(12-10-16)22(27)28/h4-7,9-13,26H,2-3,8,14-15H2,1H3,(H,27,28)