2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]octanoic acid

Systemtic Name: 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]octanoic acid Openeye Name: 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]octanoic acid CAS Name: 2-[(5-phenyl-1H-imidazol-2-yl)thio]octanoic acid IUPAC Name: 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]octanoic acid Traditional Name: 2-[(5-phenyl-1H-imidazol-2-yl)thio]caprylic acid Formula: C17H22N2O2S MolecularWeight: 318.43378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=NC=C(N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=NC=C(N1)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O2S/c1-2-3-4-8-11-15(16(20)21)22-17-18-12-14(19-17)13-9-6-5-7-10-13/h5-7,9-10,12,15H,2-4,8,11H2,1H3,(H,18,19)(H,20,21)