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

Systemtic Name: 2-[5-bromanyl-2-(3-cyclohexyl-4-methyl-2-oxidanylidene-imidazol-1-yl)phenyl]sulfanylethanoic acid Openeye Name: 2-[5-bromo-2-(3-cyclohexyl-4-methyl-2-oxo-imidazol-1-yl)phenyl]sulfanylacetic acid CAS Name: 2-[[5-bromo-2-(3-cyclohexyl-4-methyl-2-oxo-1-imidazolyl)phenyl]thio]acetic acid IUPAC Name: 2-[5-bromo-2-(3-cyclohexyl-4-methyl-2-oxoimidazol-1-yl)phenyl]sulfanylacetic acid Traditional Name: 2-[[5-bromo-2-(3-cyclohexyl-2-keto-4-methyl-4-imidazolin-1-yl)phenyl]thio]acetic acid Formula: C18H21BrN2O3S MolecularWeight: 425.33994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N1C2CCCCC2)C3=C(C=C(C=C3)Br)SCC(=O)O

Isomeric SMILES

CC1=CN(C(=O)N1C2CCCCC2)C3=C(C=C(C=C3)Br)SCC(=O)O

InChI

InChI=1S/C18H21BrN2O3S/c1-12-10-20(18(24)21(12)14-5-3-2-4-6-14)15-8-7-13(19)9-16(15)25-11-17(22)23/h7-10,14H,2-6,11H2,1H3,(H,22,23)