2-[5-bromanyl-2-(3,4-dimethyl-2-oxidanylidene-imidazol-1-yl)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[5-bromanyl-2-(3,4-dimethyl-2-oxidanylidene-imidazol-1-yl)phenyl]sulfanylethanoic acid Openeye Name: 2-[5-bromo-2-(3,4-dimethyl-2-oxo-imidazol-1-yl)phenyl]sulfanylacetic acid CAS Name: 2-[[5-bromo-2-(3,4-dimethyl-2-oxo-1-imidazolyl)phenyl]thio]acetic acid IUPAC Name: 2-[5-bromo-2-(3,4-dimethyl-2-oxoimidazol-1-yl)phenyl]sulfanylacetic acid Traditional Name: 2-[[5-bromo-2-(2-keto-3,4-dimethyl-4-imidazolin-1-yl)phenyl]thio]acetic acid Formula: C13H13BrN2O3S MolecularWeight: 357.22292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N1C)C2=C(C=C(C=C2)Br)SCC(=O)O

Isomeric SMILES

CC1=CN(C(=O)N1C)C2=C(C=C(C=C2)Br)SCC(=O)O

InChI

InChI=1S/C13H13BrN2O3S/c1-8-6-16(13(19)15(8)2)10-4-3-9(14)5-11(10)20-7-12(17)18/h3-6H,7H2,1-2H3,(H,17,18)