2-[1-(1-phenylbutyl)imidazol-2-yl]sulfanylethanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)N2C=CN=C2SCC(=O)O

Isomeric SMILES

CCCC(C1=CC=CC=C1)N2C=CN=C2SCC(=O)O

InChI

InChI=1S/C15H18N2O2S/c1-2-6-13(12-7-4-3-5-8-12)17-10-9-16-15(17)20-11-14(18)19/h3-5,7-10,13H,2,6,11H2,1H3,(H,18,19)