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

Systemtic Name: 2-[5-bromanyl-2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)imidazol-1-yl]phenyl]sulfanylethanoic acid Openeye Name: 2-[2-(3-benzyl-4-methyl-2-oxo-imidazol-1-yl)-5-bromo-phenyl]sulfanylacetic acid CAS Name: 2-[[5-bromo-2-[4-methyl-2-oxo-3-(phenylmethyl)-1-imidazolyl]phenyl]thio]acetic acid IUPAC Name: 2-[2-(3-benzyl-4-methyl-2-oxoimidazol-1-yl)-5-bromophenyl]sulfanylacetic acid Traditional Name: 2-[[2-(3-benzyl-2-keto-4-methyl-4-imidazolin-1-yl)-5-bromo-phenyl]thio]acetic acid Formula: C19H17BrN2O3S MolecularWeight: 433.31888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N1CC2=CC=CC=C2)C3=C(C=C(C=C3)Br)SCC(=O)O

Isomeric SMILES

CC1=CN(C(=O)N1CC2=CC=CC=C2)C3=C(C=C(C=C3)Br)SCC(=O)O

InChI

InChI=1S/C19H17BrN2O3S/c1-13-10-22(19(25)21(13)11-14-5-3-2-4-6-14)16-8-7-15(20)9-17(16)26-12-18(23)24/h2-10H,11-12H2,1H3,(H,23,24)