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

Systemtic Name: 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]heptanoic acid Openeye Name: 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]heptanoic acid CAS Name: 2-[(5-phenyl-1H-imidazol-2-yl)thio]heptanoic acid IUPAC Name: 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]heptanoic acid Traditional Name: 2-[(5-phenyl-1H-imidazol-2-yl)thio]enanthic acid Formula: C16H20N2O2S MolecularWeight: 304.4072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2S/c1-2-3-5-10-14(15(19)20)21-16-17-11-13(18-16)12-8-6-4-7-9-12/h4,6-9,11,14H,2-3,5,10H2,1H3,(H,17,18)(H,19,20)