2-[1-(4-butylphenyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(4-butylphenyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(4-butylphenyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(4-butylphenyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(4-butylphenyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(4-butylphenyl)imidazol-2-yl]thio]acetic acid Formula: C15H18N2O2S MolecularWeight: 290.38062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C=CN=C2SCC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C=CN=C2SCC(=O)O

InChI

InChI=1S/C15H18N2O2S/c1-2-3-4-12-5-7-13(8-6-12)17-10-9-16-15(17)20-11-14(18)19/h5-10H,2-4,11H2,1H3,(H,18,19)