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

Systemtic Name: 2-[5-bromanyl-2-[4-methyl-3-(2-methylpropyl)-2-oxidanylidene-imidazol-1-yl]phenyl]sulfanylethanoic acid Openeye Name: 2-[5-bromo-2-(3-isobutyl-4-methyl-2-oxo-imidazol-1-yl)phenyl]sulfanylacetic acid CAS Name: 2-[[5-bromo-2-[4-methyl-3-(2-methylpropyl)-2-oxo-1-imidazolyl]phenyl]thio]acetic acid IUPAC Name: 2-[5-bromo-2-[4-methyl-3-(2-methylpropyl)-2-oxoimidazol-1-yl]phenyl]sulfanylacetic acid Traditional Name: 2-[[5-bromo-2-(3-isobutyl-2-keto-4-methyl-4-imidazolin-1-yl)phenyl]thio]acetic acid Formula: C16H19BrN2O3S MolecularWeight: 399.30266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N1CC(C)C)C2=C(C=C(C=C2)Br)SCC(=O)O

Isomeric SMILES

CC1=CN(C(=O)N1CC(C)C)C2=C(C=C(C=C2)Br)SCC(=O)O

InChI

InChI=1S/C16H19BrN2O3S/c1-10(2)7-18-11(3)8-19(16(18)22)13-5-4-12(17)6-14(13)23-9-15(20)21/h4-6,8,10H,7,9H2,1-3H3,(H,20,21)