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

Systemtic Name: 2-[5-bromanyl-2-(3-ethyl-4-methyl-2-oxidanylidene-imidazol-1-yl)phenyl]sulfanylethanoic acid Openeye Name: 2-[5-bromo-2-(3-ethyl-4-methyl-2-oxo-imidazol-1-yl)phenyl]sulfanylacetic acid CAS Name: 2-[[5-bromo-2-(3-ethyl-4-methyl-2-oxo-1-imidazolyl)phenyl]thio]acetic acid IUPAC Name: 2-[5-bromo-2-(3-ethyl-4-methyl-2-oxoimidazol-1-yl)phenyl]sulfanylacetic acid Traditional Name: 2-[[5-bromo-2-(3-ethyl-2-keto-4-methyl-4-imidazolin-1-yl)phenyl]thio]acetic acid Formula: C14H15BrN2O3S MolecularWeight: 371.2495

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN(C1=O)C2=C(C=C(C=C2)Br)SCC(=O)O)C

Isomeric SMILES

CCN1C(=CN(C1=O)C2=C(C=C(C=C2)Br)SCC(=O)O)C

InChI

InChI=1S/C14H15BrN2O3S/c1-3-16-9(2)7-17(14(16)20)11-5-4-10(15)6-12(11)21-8-13(18)19/h4-7H,3,8H2,1-2H3,(H,18,19)