4-[[2-butyl-5-[(4-carboxyphenyl)sulfanylmethyl]imidazol-1-yl]methyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CSC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CSC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H24N2O4S/c1-2-3-4-21-24-13-19(15-30-20-11-9-18(10-12-20)23(28)29)25(21)14-16-5-7-17(8-6-16)22(26)27/h5-13H,2-4,14-15H2,1H3,(H,26,27)(H,28,29)